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

Systemtic Name: 3-[2-(azepan-1-yl)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-piperidin-1-ylcarbonyl-prop-2-enenitrile Openeye Name: 3-[2-(azepan-1-yl)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile CAS Name: 3-[2-(1-azepanyl)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-[oxo(1-piperidinyl)methyl]-2-propenenitrile IUPAC Name: 3-[2-(azepan-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile Traditional Name: 3-[2-(azepan-1-yl)-4-keto-pyrido[1,2-a]pyrimidin-3-yl]-2-(piperidine-1-carbonyl)acrylonitrile Formula: C23H27N5O2 MolecularWeight: 405.49278

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)C=C(C#N)C(=O)N4CCCCC4

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)C=C(C#N)C(=O)N4CCCCC4

InChI

InChI=1S/C23H27N5O2/c24-17-18(22(29)27-13-7-3-8-14-27)16-19-21(26-11-5-1-2-6-12-26)25-20-10-4-9-15-28(20)23(19)30/h4,9-10,15-16H,1-3,5-8,11-14H2