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

Systemtic Name: tert-butyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-[(4-naphthalen-1-ylcarbonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)methyl]imidazole-1-carboxylate Openeye Name: tert-butyl 2-[(tert-butoxycarbonylamino)methyl]-4-[[4-(naphthalene-1-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]methyl]imidazole-1-carboxylate CAS Name: 2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-4-[[4-[1-naphthalenyl(oxo)methyl]-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]methyl]-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-[[4-(naphthalene-1-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]methyl]imidazole-1-carboxylate Traditional Name: 2-[(tert-butoxycarbonylamino)methyl]-4-[[4-(1-naphthoyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]methyl]imidazole-1-carboxylic acid tert-butyl ester Formula: C35H41N5O5 MolecularWeight: 611.73054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=NC(=CN1C(=O)OC(C)(C)C)CN2CCN(CC3=CC=CC=C32)C(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=NC(=CN1C(=O)OC(C)(C)C)CN2CCN(CC3=CC=CC=C32)C(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C35H41N5O5/c1-34(2,3)44-32(42)36-20-30-37-26(23-40(30)33(43)45-35(4,5)6)22-38-18-19-39(21-25-13-8-10-17-29(25)38)31(41)28-16-11-14-24-12-7-9-15-27(24)28/h7-17,23H,18-22H2,1-6H3,(H,36,42)