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

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-4-morpholin-4-ylsulfonyl-3-(phenylmethyl)-5H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-morpholinosulfonyl-5H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-(1H-imidazol-5-ylmethyl)-4-(4-morpholinylsulfonyl)-3-(phenylmethyl)-5H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-morpholin-4-ylsulfonyl-5H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-morpholinosulfonyl-5H-1,4-benzodiazepine-7-carbonitrile Formula: C25H26N6O3S MolecularWeight: 490.57734

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)N2CC3=C(C=CC(=C3)C#N)N(C=C2CC4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

C1COCCN1S(=O)(=O)N2CC3=C(C=CC(=C3)C#N)N(C=C2CC4=CC=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C25H26N6O3S/c26-14-21-6-7-25-22(12-21)16-31(35(32,33)30-8-10-34-11-9-30)24(13-20-4-2-1-3-5-20)18-29(25)17-23-15-27-19-28-23/h1-7,12,15,18-19H,8-11,13,16-17H2,(H,27,28)