3-[2-(azepan-1-yl)-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: 3-[2-(azepan-1-yl)-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 3-[2-(azepan-1-yl)-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]-2-(benzenesulfonyl)prop-2-enenitrile CAS Name: 3-[2-(1-azepanyl)-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-(benzenesulfonyl)-2-propenenitrile IUPAC Name: 3-[2-(azepan-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(benzenesulfonyl)prop-2-enenitrile Traditional Name: 3-[2-(azepan-1-yl)-4-keto-9-methyl-pyrido[1,2-a]pyrimidin-3-yl]-2-besyl-acrylonitrile Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)S(=O)(=O)C3=CC=CC=C3)N4CCCCCC4

Isomeric SMILES

CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)S(=O)(=O)C3=CC=CC=C3)N4CCCCCC4

InChI

InChI=1S/C24H24N4O3S/c1-18-10-9-15-28-22(18)26-23(27-13-7-2-3-8-14-27)21(24(28)29)16-20(17-25)32(30,31)19-11-5-4-6-12-19/h4-6,9-12,15-16H,2-3,7-8,13-14H2,1H3