4-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)-1H-quinazolin-7-ylidene]-2,6-dimethyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)-1H-quinazolin-7-ylidene]-2,6-dimethyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)-1H-quinazolin-7-ylidene]-2,6-dimethyl-cyclohexa-2,5-dien-1-one CAS Name: 4-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)-1H-quinazolin-7-ylidene]-2,6-dimethyl-1-cyclohexa-2,5-dienone IUPAC Name: 4-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)-1H-quinazolin-7-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one Traditional Name: 4-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)-1H-quinazolin-7-ylidene]-2,6-dimethyl-cyclohexa-2,5-dien-1-one Formula: C24H22ClN3O2 MolecularWeight: 419.90338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C3=CN=C(NC3=C2OC)NC)C4=CC(=CC=C4)Cl)C=C(C1=O)C

Isomeric SMILES

CC1=CC(=C2C=C(C3=CN=C(NC3=C2OC)NC)C4=CC(=CC=C4)Cl)C=C(C1=O)C

InChI

InChI=1S/C24H22ClN3O2/c1-13-8-16(9-14(2)22(13)29)19-11-18(15-6-5-7-17(25)10-15)20-12-27-24(26-3)28-21(20)23(19)30-4/h5-12H,1-4H3,(H2,26,27,28)