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

Systemtic Name: N-tert-butyl-2-[[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]carbonyl]benzamide Openeye Name: N-tert-butyl-2-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl]benzamide CAS Name: N-tert-butyl-2-[[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-oxomethyl]benzamide IUPAC Name: N-tert-butyl-2-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl]benzamide Traditional Name: N-tert-butyl-2-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl]benzamide Formula: C31H33N5O2 MolecularWeight: 507.62602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=CC=C1C(=O)N2CCN(C3=C(C2)C=C(C=C3)C4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1C(=O)N2CCN(C3=C(C2)C=C(C=C3)C4=CC=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C31H33N5O2/c1-31(2,3)34-29(37)26-11-7-8-12-27(26)30(38)36-16-15-35(20-25-18-32-21-33-25)28-14-13-23(17-24(28)19-36)22-9-5-4-6-10-22/h4-14,17-18,21H,15-16,19-20H2,1-3H3,(H,32,33)(H,34,37)