1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-7-pyridin-4-yl-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-7-pyridin-4-yl-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-7-(4-pyridyl)-4-(2-thienylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-7-pyridin-4-yl-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-7-pyridin-4-yl-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-7-(4-pyridyl)-4-(2-thienylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine Formula: C29H27N5O2S2 MolecularWeight: 541.68698

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C4=CC=NC=C4)S(=O)(=O)C5=CC=CS5)CC6=CC=CC=C6

Isomeric SMILES

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C4=CC=NC=C4)S(=O)(=O)C5=CC=CS5)CC6=CC=CC=C6

InChI

InChI=1S/C29H27N5O2S2/c35-38(36,29-7-4-14-37-29)34-18-25-16-24(23-10-12-30-13-11-23)8-9-28(25)33(19-26-17-31-21-32-26)20-27(34)15-22-5-2-1-3-6-22/h1-14,16-17,21,27H,15,18-20H2,(H,31,32)