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

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-4-propylsulfonyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-propylsulfonyl-7-(4-pyridyl)-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-4-propylsulfonyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-propylsulfonyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-propylsulfonyl-7-(4-pyridyl)-3,5-dihydro-2H-1,4-benzodiazepine Formula: C28H31N5O2S MolecularWeight: 501.64304

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CC2=C(C=CC(=C2)C3=CC=NC=C3)N(CC1CC4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

CCCS(=O)(=O)N1CC2=C(C=CC(=C2)C3=CC=NC=C3)N(CC1CC4=CC=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C28H31N5O2S/c1-2-14-36(34,35)33-18-25-16-24(23-10-12-29-13-11-23)8-9-28(25)32(19-26-17-30-21-31-26)20-27(33)15-22-6-4-3-5-7-22/h3-13,16-17,21,27H,2,14-15,18-20H2,1H3,(H,30,31)