4-(1-methylpyrazol-4-yl)sulfonyl-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 4-(1-methylpyrazol-4-yl)sulfonyl-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-4-(1-methylpyrazol-4-yl)sulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-[(1-methyl-4-pyrazolyl)sulfonyl]-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-4-(1-methylpyrazol-4-yl)sulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-(1-methylpyrazol-4-yl)sulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)S(=O)(=O)N2CC3=C(C=CC(=C3)C#N)NCC2CC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=N1)S(=O)(=O)N2CC3=C(C=CC(=C3)C#N)NCC2CC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O2S/c1-25-15-20(13-24-25)29(27,28)26-14-18-9-17(11-22)7-8-21(18)23-12-19(26)10-16-5-3-2-4-6-16/h2-9,13,15,19,23H,10,12,14H2,1H3