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

Systemtic Name: (3R)-4-butylsulfonyl-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: (3R)-3-benzyl-4-butylsulfonyl-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: (3R)-4-butylsulfonyl-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: (3R)-3-benzyl-4-butylsulfonyl-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: (3R)-3-benzyl-4-butylsulfonyl-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C25H29N5O2S MolecularWeight: 463.59506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CC=CC=C3)CC4=CN=CN4

Isomeric SMILES

CCCCS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(C[C@H]1CC3=CC=CC=C3)CC4=CN=CN4

InChI

InChI=1S/C25H29N5O2S/c1-2-3-11-33(31,32)30-16-22-12-21(14-26)9-10-25(22)29(17-23-15-27-19-28-23)18-24(30)13-20-7-5-4-6-8-20/h4-10,12,15,19,24H,2-3,11,13,16-18H2,1H3,(H,27,28)/t24-/m1/s1