methyl 4-(4-methoxyphenyl)sulfonyl-7-methyl-1-(2-pyrazol-1-ylphenyl)carbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate

Systemtic Name: methyl 4-(4-methoxyphenyl)sulfonyl-7-methyl-1-(2-pyrazol-1-ylphenyl)carbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 4-(4-methoxyphenyl)sulfonyl-7-methyl-1-(2-pyrazol-1-ylbenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 4-(4-methoxyphenyl)sulfonyl-7-methyl-1-[oxo-[2-(1-pyrazolyl)phenyl]methyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-methoxyphenyl)sulfonyl-7-methyl-1-(2-pyrazol-1-ylbenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 4-(4-methoxyphenyl)sulfonyl-7-methyl-1-(2-pyrazol-1-ylbenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C29H28N4O6S MolecularWeight: 560.62082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CC(N(C2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)OC)C(=O)C4=CC=CC=C4N5C=CC=N5

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC(N(C2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)OC)C(=O)C4=CC=CC=C4N5C=CC=N5

InChI

InChI=1S/C29H28N4O6S/c1-20-9-14-25-21(17-20)18-33(40(36,37)23-12-10-22(38-2)11-13-23)27(29(35)39-3)19-31(25)28(34)24-7-4-5-8-26(24)32-16-6-15-30-32/h4-17,27H,18-19H2,1-3H3