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

Systemtic Name: 3-[2-(azepan-1-yl)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-ethyl-prop-2-enamide Openeye Name: 3-[2-(azepan-1-yl)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-ethyl-prop-2-enamide CAS Name: 3-[2-(1-azepanyl)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-cyano-N-ethyl-2-propenamide IUPAC Name: 3-[2-(azepan-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-ethylprop-2-enamide Traditional Name: 3-[2-(azepan-1-yl)-4-keto-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-ethyl-acrylamide Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(=CC1=C(N=C2C=CC=CN2C1=O)N3CCCCCC3)C#N

Isomeric SMILES

CCNC(=O)C(=CC1=C(N=C2C=CC=CN2C1=O)N3CCCCCC3)C#N

InChI

InChI=1S/C20H23N5O2/c1-2-22-19(26)15(14-21)13-16-18(24-10-6-3-4-7-11-24)23-17-9-5-8-12-25(17)20(16)27/h5,8-9,12-13H,2-4,6-7,10-11H2,1H3,(H,22,26)