1-[(3-methylimidazol-4-yl)methyl]-4-morpholin-4-ylsulfonyl-3-(phenylmethyl)-5H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 1-[(3-methylimidazol-4-yl)methyl]-4-morpholin-4-ylsulfonyl-3-(phenylmethyl)-5H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-1-[(3-methylimidazol-4-yl)methyl]-4-morpholinosulfonyl-5H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-[(3-methyl-4-imidazolyl)methyl]-4-(4-morpholinylsulfonyl)-3-(phenylmethyl)-5H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-1-[(3-methylimidazol-4-yl)methyl]-4-morpholin-4-ylsulfonyl-5H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-1-[(3-methylimidazol-4-yl)methyl]-4-morpholinosulfonyl-5H-1,4-benzodiazepine-7-carbonitrile Formula: C26H28N6O3S MolecularWeight: 504.60392

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CN2C=C(N(CC3=C2C=CC(=C3)C#N)S(=O)(=O)N4CCOCC4)CC5=CC=CC=C5

Isomeric SMILES

CN1C=NC=C1CN2C=C(N(CC3=C2C=CC(=C3)C#N)S(=O)(=O)N4CCOCC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H28N6O3S/c1-29-20-28-16-25(29)19-30-18-24(14-21-5-3-2-4-6-21)32(36(33,34)31-9-11-35-12-10-31)17-23-13-22(15-27)7-8-26(23)30/h2-8,13,16,18,20H,9-12,14,17,19H2,1H3