1-[3-(1H-imidazol-2-yl)propyl]-3-(phenylmethyl)-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 1-[3-(1H-imidazol-2-yl)propyl]-3-(phenylmethyl)-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-1-[3-(1H-imidazol-2-yl)propyl]-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-[3-(1H-imidazol-2-yl)propyl]-3-(phenylmethyl)-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-1-[3-(1H-imidazol-2-yl)propyl]-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-1-[3-(1H-imidazol-2-yl)propyl]-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C26H31N5O2S MolecularWeight: 477.62164

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CC=CC=C3)CCCC4=NC=CN4

Isomeric SMILES

CCCS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CC=CC=C3)CCCC4=NC=CN4

InChI

InChI=1S/C26H31N5O2S/c1-2-15-34(32,33)31-19-23-16-22(18-27)10-11-25(23)30(14-6-9-26-28-12-13-29-26)20-24(31)17-21-7-4-3-5-8-21/h3-5,7-8,10-13,16,24H,2,6,9,14-15,17,19-20H2,1H3,(H,28,29)