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

Systemtic Name: ethyl 3-[2-(azepan-1-yl)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-prop-2-enoate Openeye Name: ethyl 3-[2-(azepan-1-yl)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-prop-2-enoate CAS Name: 3-[2-(1-azepanyl)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl 3-[2-(azepan-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate Traditional Name: 3-[2-(azepan-1-yl)-4-keto-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-acrylic acid ethyl ester Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3/c1-2-27-20(26)15(14-21)13-16-18(23-10-6-3-4-7-11-23)22-17-9-5-8-12-24(17)19(16)25/h5,8-9,12-13H,2-4,6-7,10-11H2,1H3