1-[(3-methylimidazol-4-yl)methyl]-4-methylsulfonyl-7-phenyl-3-(pyridin-3-ylmethyl)-5H-1,4-benzodiazepine

Systemtic Name: 1-[(3-methylimidazol-4-yl)methyl]-4-methylsulfonyl-7-phenyl-3-(pyridin-3-ylmethyl)-5H-1,4-benzodiazepine Openeye Name: 1-[(3-methylimidazol-4-yl)methyl]-4-methylsulfonyl-7-phenyl-3-(3-pyridylmethyl)-5H-1,4-benzodiazepine CAS Name: 1-[(3-methyl-4-imidazolyl)methyl]-4-methylsulfonyl-7-phenyl-3-(3-pyridinylmethyl)-5H-1,4-benzodiazepine IUPAC Name: 1-[(3-methylimidazol-4-yl)methyl]-4-methylsulfonyl-7-phenyl-3-(pyridin-3-ylmethyl)-5H-1,4-benzodiazepine Traditional Name: 4-mesyl-1-[(3-methylimidazol-4-yl)methyl]-7-phenyl-3-(3-pyridylmethyl)-5H-1,4-benzodiazepine Formula: C27H27N5O2S MolecularWeight: 485.60058

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CN2C=C(N(CC3=C2C=CC(=C3)C4=CC=CC=C4)S(=O)(=O)C)CC5=CN=CC=C5

Isomeric SMILES

CN1C=NC=C1CN2C=C(N(CC3=C2C=CC(=C3)C4=CC=CC=C4)S(=O)(=O)C)CC5=CN=CC=C5

InChI

InChI=1S/C27H27N5O2S/c1-30-20-29-16-26(30)19-31-18-25(13-21-7-6-12-28-15-21)32(35(2,33)34)17-24-14-23(10-11-27(24)31)22-8-4-3-5-9-22/h3-12,14-16,18,20H,13,17,19H2,1-2H3