6-[4-[(4-chlorophenyl)amino]-1H-quinazolin-2-ylidene]-2-methoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[4-[(4-chlorophenyl)amino]-1H-quinazolin-2-ylidene]-2-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-(4-chloroanilino)-1H-quinazolin-2-ylidene]-2-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[4-(4-chloroanilino)-1H-quinazolin-2-ylidene]-2-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-(4-chloroanilino)-1H-quinazolin-2-ylidene]-2-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[4-(4-chloroanilino)-1H-quinazolin-2-ylidene]-2-methoxy-cyclohexa-2,4-dien-1-one Formula: C21H16ClN3O2 MolecularWeight: 377.82364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C2NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)Cl)C1=O

Isomeric SMILES

COC1=CC=CC(=C2NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)Cl)C1=O

InChI

InChI=1S/C21H16ClN3O2/c1-27-18-8-4-6-16(19(18)26)21-24-17-7-3-2-5-15(17)20(25-21)23-14-11-9-13(22)10-12-14/h2-12,24H,1H3,(H,23,25)