tert-butyl 4-[[7-bromanyl-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]methyl]imidazole-1-carboxylate

Systemtic Name: tert-butyl 4-[[7-bromanyl-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]methyl]imidazole-1-carboxylate Openeye Name: tert-butyl 4-[(3-benzyl-7-bromo-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)methyl]imidazole-1-carboxylate CAS Name: 4-[[7-bromo-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]methyl]-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3-benzyl-7-bromo-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)methyl]imidazole-1-carboxylate Traditional Name: 4-[(3-benzyl-7-bromo-4-mesyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)methyl]imidazole-1-carboxylic acid tert-butyl ester Formula: C26H31BrN4O4S MolecularWeight: 575.51774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(N=C1)CN2CC(N(CC3=C2C=CC(=C3)Br)S(=O)(=O)C)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(N=C1)CN2CC(N(CC3=C2C=CC(=C3)Br)S(=O)(=O)C)CC4=CC=CC=C4

InChI

InChI=1S/C26H31BrN4O4S/c1-26(2,3)35-25(32)30-16-22(28-18-30)15-29-17-23(12-19-8-6-5-7-9-19)31(36(4,33)34)14-20-13-21(27)10-11-24(20)29/h5-11,13,16,18,23H,12,14-15,17H2,1-4H3