1-(1H-imidazol-5-ylmethyl)-4-naphthalen-1-ylsulfonyl-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine hydrochloride

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-4-naphthalen-1-ylsulfonyl-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine hydrochloride Openeye Name: 1-(1H-imidazol-5-ylmethyl)-4-(1-naphthylsulfonyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine hydrochloride CAS Name: 1-(1H-imidazol-5-ylmethyl)-4-(1-naphthalenylsulfonyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine hydrochloride IUPAC Name: 1-(1H-imidazol-5-ylmethyl)-4-naphthalen-1-ylsulfonyl-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine hydrochloride Traditional Name: 1-(1H-imidazol-5-ylmethyl)-4-(1-naphthylsulfonyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine hydrochloride Formula: C29H27ClN4O2S MolecularWeight: 531.06828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(CN1S(=O)(=O)C3=CC=CC4=CC=CC=C43)C=C(C=C2)C5=CC=CC=C5)CC6=CN=CN6.Cl

Isomeric SMILES

C1CN(C2=C(CN1S(=O)(=O)C3=CC=CC4=CC=CC=C43)C=C(C=C2)C5=CC=CC=C5)CC6=CN=CN6.Cl

InChI

InChI=1S/C29H26N4O2S.ClH/c34-36(35,29-12-6-10-23-9-4-5-11-27(23)29)33-16-15-32(20-26-18-30-21-31-26)28-14-13-24(17-25(28)19-33)22-7-2-1-3-8-22;/h1-14,17-18,21H,15-16,19-20H2,(H,30,31);1H