Astrocasine

Catalog Number	ACM2114923
CAS Number	2114-92-3
Synonyms	3-(1-Methyl-piperidin-2-yl)-1,3,4,12b-tetrahydro-2H-benzo[c]pyrido[1,2-a]azepin-6-one
Molecular Weight	310.4
InChI	InChI=1S/C20H26N2O/c1-21-13-5-4-8-18(21)16-9-11-19-17-7-3-2-6-15(17)10-12-20(23)22(19)14-16/h2-3,6-7,10,12,16,18-19H,4-5,8-9,11,13-14H2,1H3/t16-,18+,19+/m0/s1
InChI Key	SYCAKKSJEGVPOL-QXAKKESOSA-N
Purity	95%+
Complexity	474
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Exact Mass	310.204513457
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isomeric SMILES	CN1CCCC[C@@H]1[C@H]2CC[C@@H]3C4=CC=CC=C4C=CC(=O)N3C2
Monoisotopic Mass	310.204513457
PhysicalState	Powder
Rotatable Bond Count	1
Topological Polar Surface Area	23.6 Ų

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