3-[2-(azepan-1-yl)-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-ethyl-prop-2-enamide

Systemtic Name: 3-[2-(azepan-1-yl)-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-ethyl-prop-2-enamide Openeye Name: 3-[2-(azepan-1-yl)-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-ethyl-prop-2-enamide CAS Name: 3-[2-(1-azepanyl)-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-cyano-N-ethyl-2-propenamide IUPAC Name: 3-[2-(azepan-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-ethylprop-2-enamide Traditional Name: 3-[2-(azepan-1-yl)-4-keto-9-methyl-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-ethyl-acrylamide Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O2/c1-3-23-20(27)16(14-22)13-17-19(25-10-6-4-5-7-11-25)24-18-15(2)9-8-12-26(18)21(17)28/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,23,27)