1-[(3-methylimidazol-4-yl)methyl]-2-oxidanylidene-3-(phenylmethyl)-4-(phenylsulfonyl)-3,5-dihydro-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 1-[(3-methylimidazol-4-yl)methyl]-2-oxidanylidene-3-(phenylmethyl)-4-(phenylsulfonyl)-3,5-dihydro-1,4-benzodiazepine-7-carbonitrile Openeye Name: 4-(benzenesulfonyl)-3-benzyl-1-[(3-methylimidazol-4-yl)methyl]-2-oxo-3,5-dihydro-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-(benzenesulfonyl)-1-[(3-methyl-4-imidazolyl)methyl]-2-oxo-3-(phenylmethyl)-3,5-dihydro-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 4-(benzenesulfonyl)-3-benzyl-1-[(3-methylimidazol-4-yl)methyl]-2-oxo-3,5-dihydro-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-besyl-2-keto-1-[(3-methylimidazol-4-yl)methyl]-3,5-dihydro-1,4-benzodiazepine-7-carbonitrile Formula: C28H25N5O3S MolecularWeight: 511.5948

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CN2C3=C(CN(C(C2=O)CC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5)C=C(C=C3)C#N

Isomeric SMILES

CN1C=NC=C1CN2C3=C(CN(C(C2=O)CC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5)C=C(C=C3)C#N

InChI

InChI=1S/C28H25N5O3S/c1-31-20-30-17-24(31)19-32-26-13-12-22(16-29)14-23(26)18-33(37(35,36)25-10-6-3-7-11-25)27(28(32)34)15-21-8-4-2-5-9-21/h2-14,17,20,27H,15,18-19H2,1H3