(2E)-5-chloranyl-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-3-phenethyl-1H-pyrido[4,3-d]pyrimidin-4-one

Systemtic Name: (2E)-5-chloranyl-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-3-phenethyl-1H-pyrido[4,3-d]pyrimidin-4-one Openeye Name: (2E)-5-chloro-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-3-phenethyl-1H-pyrido[4,3-d]pyrimidin-4-one CAS Name: (2E)-5-chloro-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-3-phenethyl-1H-pyrido[4,3-d]pyrimidin-4-one IUPAC Name: (2E)-5-chloro-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-3-phenethyl-1H-pyrido[4,3-d]pyrimidin-4-one Traditional Name: (2E)-5-chloro-2-(6-ketocyclohexa-2,4-dien-1-ylidene)-3-phenethyl-1H-pyrido[4,3-d]pyrimidin-4-one Formula: C21H16ClN3O2 MolecularWeight: 377.82364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=C3C=CC=CC3=O)NC4=C(C2=O)C(=NC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCN2/C(=C/3\C=CC=CC3=O)/NC4=C(C2=O)C(=NC=C4)Cl

InChI

InChI=1S/C21H16ClN3O2/c22-19-18-16(10-12-23-19)24-20(15-8-4-5-9-17(15)26)25(21(18)27)13-11-14-6-2-1-3-7-14/h1-10,12,24H,11,13H2/b20-15+