1-(1H-imidazol-5-ylmethyl)-4-morpholin-4-ylcarbonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-4-morpholin-4-ylcarbonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(morpholine-4-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-(1H-imidazol-5-ylmethyl)-4-[4-morpholinyl(oxo)methyl]-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(morpholine-4-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(morpholine-4-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C26H28N6O2 MolecularWeight: 456.53952

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)N2CC3=C(C=CC(=C3)C#N)N(CC2CC4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

C1COCCN1C(=O)N2CC3=C(C=CC(=C3)C#N)N(CC2CC4=CC=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C26H28N6O2/c27-14-21-6-7-25-22(12-21)16-32(26(33)30-8-10-34-11-9-30)24(13-20-4-2-1-3-5-20)18-31(25)17-23-15-28-19-29-23/h1-7,12,15,19,24H,8-11,13,16-18H2,(H,28,29)