[6-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]cyclohexa-2,4-dien-1-ylidene]methanone

Systemtic Name: [6-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]cyclohexa-2,4-dien-1-ylidene]methanone Openeye Name: [6-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]cyclohexa-2,4-dien-1-ylidene]methanone CAS Name: [6-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-1-cyclohexa-2,4-dienylidene]methanone IUPAC Name: [6-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]cyclohexa-2,4-dien-1-ylidene]methanone Traditional Name: [6-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]cyclohexa-2,4-dien-1-ylidene]methanone Formula: C26H24N4O MolecularWeight: 408.49496

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(CN1C3C=CC=CC3=C=O)C=C(C=C2)C4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

C1CN(C2=C(CN1C3C=CC=CC3=C=O)C=C(C=C2)C4=CC=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C26H24N4O/c31-18-22-8-4-5-9-25(22)29-12-13-30(17-24-15-27-19-28-24)26-11-10-21(14-23(26)16-29)20-6-2-1-3-7-20/h1-11,14-15,19,25H,12-13,16-17H2,(H,27,28)