(6Z)-6-[4-(3-bromophenyl)-1,3-dihydro-1,5-benzodiazepin-2-ylidene]-4-methoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-6-[4-(3-bromophenyl)-1,3-dihydro-1,5-benzodiazepin-2-ylidene]-4-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-[4-(3-bromophenyl)-1,3-dihydro-1,5-benzodiazepin-2-ylidene]-4-methoxy-cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-[4-(3-bromophenyl)-1,3-dihydro-1,5-benzodiazepin-2-ylidene]-4-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-[4-(3-bromophenyl)-1,3-dihydro-1,5-benzodiazepin-2-ylidene]-4-methoxycyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-[4-(3-bromophenyl)-1,3-dihydro-1,5-benzodiazepin-2-ylidene]-4-methoxy-cyclohexa-2,4-dien-1-one Formula: C22H17BrN2O2 MolecularWeight: 421.28658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2CC(=NC3=CC=CC=C3N2)C4=CC(=CC=C4)Br)C(=O)C=C1

Isomeric SMILES

COC1=C/C(=C/2\CC(=NC3=CC=CC=C3N2)C4=CC(=CC=C4)Br)/C(=O)C=C1

InChI

InChI=1S/C22H17BrN2O2/c1-27-16-9-10-22(26)17(12-16)21-13-20(14-5-4-6-15(23)11-14)24-18-7-2-3-8-19(18)25-21/h2-12,25H,13H2,1H3/b21-17-