(2E)-3-[(4-bromophenyl)methylamino]-2-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1H-quinazolin-4-one

Systemtic Name: (2E)-3-[(4-bromophenyl)methylamino]-2-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1H-quinazolin-4-one Openeye Name: (2E)-3-[(4-bromophenyl)methylamino]-2-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1H-quinazolin-4-one CAS Name: (2E)-3-[(4-bromophenyl)methylamino]-2-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-1H-quinazolin-4-one IUPAC Name: (2E)-3-[(4-bromophenyl)methylamino]-2-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-1H-quinazolin-4-one Traditional Name: (2E)-3-[(4-bromobenzyl)amino]-2-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)-1H-quinazolin-4-one Formula: C22H18BrN3O3 MolecularWeight: 452.30062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2NC3=CC=CC=C3C(=O)N2NCC4=CC=C(C=C4)Br)C=CC1=O

Isomeric SMILES

COC1=C/C(=C/2\NC3=CC=CC=C3C(=O)N2NCC4=CC=C(C=C4)Br)/C=CC1=O

InChI

InChI=1S/C22H18BrN3O3/c1-29-20-12-15(8-11-19(20)27)21-25-18-5-3-2-4-17(18)22(28)26(21)24-13-14-6-9-16(23)10-7-14/h2-12,24-25H,13H2,1H3/b21-15+