1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-4-piperidin-1-ylsulfonyl-5H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-4-piperidin-1-ylsulfonyl-5H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(1-piperidylsulfonyl)-5H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-4-(1-piperidinylsulfonyl)-5H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-piperidin-1-ylsulfonyl-5H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-piperidinosulfonyl-5H-1,4-benzodiazepine-7-carbonitrile Formula: C26H28N6O2S MolecularWeight: 488.60452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)N2CC3=C(C=CC(=C3)C#N)N(C=C2CC4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)N2CC3=C(C=CC(=C3)C#N)N(C=C2CC4=CC=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C26H28N6O2S/c27-15-22-9-10-26-23(13-22)17-32(35(33,34)31-11-5-2-6-12-31)25(14-21-7-3-1-4-8-21)19-30(26)18-24-16-28-20-29-24/h1,3-4,7-10,13,16,19-20H,2,5-6,11-12,14,17-18H2,(H,28,29)