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

Systemtic Name: 3-[2-(azepan-1-yl)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-prop-2-enyl-prop-2-enamide Openeye Name: N-allyl-3-[2-(azepan-1-yl)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-prop-2-enamide CAS Name: 3-[2-(1-azepanyl)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-cyano-N-prop-2-enyl-2-propenamide IUPAC Name: 3-[2-(azepan-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-prop-2-enylprop-2-enamide Traditional Name: N-allyl-3-[2-(azepan-1-yl)-4-keto-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-acrylamide Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O2/c1-2-10-23-20(27)16(15-22)14-17-19(25-11-6-3-4-7-12-25)24-18-9-5-8-13-26(18)21(17)28/h2,5,8-9,13-14H,1,3-4,6-7,10-12H2,(H,23,27)