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

Systemtic Name: tert-butyl 4-[[7-cyano-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-cyano-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)methyl]imidazole-1-carboxylate CAS Name: 4-[[7-cyano-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-cyano-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)methyl]imidazole-1-carboxylate Traditional Name: 4-[(3-benzyl-7-cyano-4-mesyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)methyl]imidazole-1-carboxylic acid tert-butyl ester Formula: C27H31N5O4S MolecularWeight: 521.63114

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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)C#N)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)C#N)S(=O)(=O)C)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N5O4S/c1-27(2,3)36-26(33)31-17-23(29-19-31)16-30-18-24(13-20-8-6-5-7-9-20)32(37(4,34)35)15-22-12-21(14-28)10-11-25(22)30/h5-12,17,19,24H,13,15-16,18H2,1-4H3