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

Systemtic Name: 3-[2-(azepan-1-yl)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 3-[2-(azepan-1-yl)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]-2-(benzenesulfonyl)prop-2-enenitrile CAS Name: 3-[2-(1-azepanyl)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-(benzenesulfonyl)-2-propenenitrile IUPAC Name: 3-[2-(azepan-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(benzenesulfonyl)prop-2-enenitrile Traditional Name: 3-[2-(azepan-1-yl)-4-keto-pyrido[1,2-a]pyrimidin-3-yl]-2-besyl-acrylonitrile Formula: C23H22N4O3S MolecularWeight: 434.51078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)C=C(C#N)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)C=C(C#N)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H22N4O3S/c24-17-19(31(29,30)18-10-4-3-5-11-18)16-20-22(26-13-7-1-2-8-14-26)25-21-12-6-9-15-27(21)23(20)28/h3-6,9-12,15-16H,1-2,7-8,13-14H2