1-(1H-imidazol-5-ylmethyl)-4-(3-oxidanylpropylsulfonyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-4-(3-oxidanylpropylsulfonyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-4-(3-hydroxypropylsulfonyl)-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-(3-hydroxypropylsulfonyl)-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-4-(3-hydroxypropylsulfonyl)-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-(3-hydroxypropylsulfonyl)-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C24H27N5O3S MolecularWeight: 465.56788

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)S(=O)(=O)CCCO)CC4=CC=CC=C4

Isomeric SMILES

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)S(=O)(=O)CCCO)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N5O3S/c25-13-20-7-8-24-21(11-20)15-29(33(31,32)10-4-9-30)23(12-19-5-2-1-3-6-19)17-28(24)16-22-14-26-18-27-22/h1-3,5-8,11,14,18,23,30H,4,9-10,12,15-17H2,(H,26,27)