tert-butyl 4-[(4-naphthalen-1-ylcarbonyl-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)methyl]imidazole-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-naphthalen-1-ylcarbonyl-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)methyl]imidazole-1-carboxylate Openeye Name: tert-butyl 4-[[4-(naphthalene-1-carbonyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]methyl]imidazole-1-carboxylate CAS Name: 4-[[4-[1-naphthalenyl(oxo)methyl]-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]methyl]-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(naphthalene-1-carbonyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]methyl]imidazole-1-carboxylate Traditional Name: 4-[[4-(1-naphthoyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]methyl]imidazole-1-carboxylic acid tert-butyl ester Formula: C35H34N4O3 MolecularWeight: 558.66946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(N=C1)CN2CCN(CC3=C2C=CC(=C3)C4=CC=CC=C4)C(=O)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(N=C1)CN2CCN(CC3=C2C=CC(=C3)C4=CC=CC=C4)C(=O)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C35H34N4O3/c1-35(2,3)42-34(41)39-23-29(36-24-39)22-37-18-19-38(33(40)31-15-9-13-26-12-7-8-14-30(26)31)21-28-20-27(16-17-32(28)37)25-10-5-4-6-11-25/h4-17,20,23-24H,18-19,21-22H2,1-3H3