(3S)-1-(1H-imidazol-5-ylmethyl)-3-[(1R)-1-phenylethyl]-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: (3S)-1-(1H-imidazol-5-ylmethyl)-3-[(1R)-1-phenylethyl]-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: (3S)-1-(1H-imidazol-5-ylmethyl)-3-[(1R)-1-phenylethyl]-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: (3S)-1-(1H-imidazol-5-ylmethyl)-3-[(1R)-1-phenylethyl]-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: (3S)-1-(1H-imidazol-5-ylmethyl)-3-[(1R)-1-phenylethyl]-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: (3S)-1-(1H-imidazol-5-ylmethyl)-3-[(1R)-1-phenylethyl]-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C25H29N5O2S MolecularWeight: 463.59506

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1C(C)C3=CC=CC=C3)CC4=CN=CN4

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O2S/c1-3-11-33(31,32)30-15-22-12-20(13-26)9-10-24(22)29(16-23-14-27-18-28-23)17-25(30)19(2)21-7-5-4-6-8-21/h4-10,12,14,18-19,25H,3,11,15-17H2,1-2H3,(H,27,28)/t19-,25-/m1/s1