4-cyclopenta-1,3-dien-1-ylsulfonyl-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 4-cyclopenta-1,3-dien-1-ylsulfonyl-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-4-cyclopenta-1,3-dien-1-ylsulfonyl-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-(1-cyclopenta-1,3-dienylsulfonyl)-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-4-cyclopenta-1,3-dien-1-ylsulfonyl-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-cyclopenta-1,3-dien-1-ylsulfonyl-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C26H25N5O2S MolecularWeight: 471.574

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=C1S(=O)(=O)N2CC3=C(C=CC(=C3)C#N)N(CC2CC4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

C1C=CC=C1S(=O)(=O)N2CC3=C(C=CC(=C3)C#N)N(CC2CC4=CC=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C26H25N5O2S/c27-14-21-10-11-26-22(12-21)16-31(34(32,33)25-8-4-5-9-25)24(13-20-6-2-1-3-7-20)18-30(26)17-23-15-28-19-29-23/h1-8,10-12,15,19,24H,9,13,16-18H2,(H,28,29)