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

Systemtic Name: (3S)-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-[(1S)-1-phenylethyl]-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: (3S)-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-[(1S)-1-phenylethyl]-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: (3S)-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-[(1S)-1-phenylethyl]-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: (3S)-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-[(1S)-1-phenylethyl]-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: (3S)-1-(1H-imidazol-5-ylmethyl)-4-mesyl-3-[(1S)-1-phenylethyl]-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CN(C2=C(CN1S(=O)(=O)C)C=C(C=C2)C#N)CC3=CN=CN3)C4=CC=CC=C4

Isomeric SMILES

C[C@H]([C@H]1CN(C2=C(CN1S(=O)(=O)C)C=C(C=C2)C#N)CC3=CN=CN3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N5O2S/c1-17(19-6-4-3-5-7-19)23-15-27(14-21-12-25-16-26-21)22-9-8-18(11-24)10-20(22)13-28(23)31(2,29)30/h3-10,12,16-17,23H,13-15H2,1-2H3,(H,25,26)/t17-,23+/m0/s1