3-[2-(azepan-1-yl)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(phenylmethyl)prop-2-enamide

Systemtic Name: 3-[2-(azepan-1-yl)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(phenylmethyl)prop-2-enamide Openeye Name: 3-[2-(azepan-1-yl)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]-N-benzyl-2-cyano-prop-2-enamide CAS Name: 3-[2-(1-azepanyl)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-cyano-N-(phenylmethyl)-2-propenamide IUPAC Name: 3-[2-(azepan-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-benzyl-2-cyanoprop-2-enamide Traditional Name: 3-[2-(azepan-1-yl)-4-keto-pyrido[1,2-a]pyrimidin-3-yl]-N-benzyl-2-cyano-acrylamide Formula: C25H25N5O2 MolecularWeight: 427.4983

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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)NCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)C=C(C#N)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C25H25N5O2/c26-17-20(24(31)27-18-19-10-4-3-5-11-19)16-21-23(29-13-7-1-2-8-14-29)28-22-12-6-9-15-30(22)25(21)32/h3-6,9-12,15-16H,1-2,7-8,13-14,18H2,(H,27,31)