2-[[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]carbonyl]benzamide

Systemtic Name: 2-[[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]carbonyl]benzamide Openeye Name: 2-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl]benzamide CAS Name: 2-[[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-oxomethyl]benzamide IUPAC Name: 2-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl]benzamide Traditional Name: 2-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl]benzamide Formula: C27H25N5O2 MolecularWeight: 451.5197

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(CN1C(=O)C3=CC=CC=C3C(=O)N)C=C(C=C2)C4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

C1CN(C2=C(CN1C(=O)C3=CC=CC=C3C(=O)N)C=C(C=C2)C4=CC=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C27H25N5O2/c28-26(33)23-8-4-5-9-24(23)27(34)32-13-12-31(17-22-15-29-18-30-22)25-11-10-20(14-21(25)16-32)19-6-2-1-3-7-19/h1-11,14-15,18H,12-13,16-17H2,(H2,28,33)(H,29,30)