7-cyano-N-(2-dimethylaminoethyl)-1-(1H-imidazol-5-ylmethyl)-N-methyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide

Systemtic Name: 7-cyano-N-(2-dimethylaminoethyl)-1-(1H-imidazol-5-ylmethyl)-N-methyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide Openeye Name: 3-benzyl-7-cyano-N-(2-dimethylaminoethyl)-1-(1H-imidazol-5-ylmethyl)-N-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide CAS Name: 7-cyano-N-(2-dimethylaminoethyl)-1-(1H-imidazol-5-ylmethyl)-N-methyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide IUPAC Name: 3-benzyl-7-cyano-N-(2-dimethylaminoethyl)-1-(1H-imidazol-5-ylmethyl)-N-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide Traditional Name: 3-benzyl-7-cyano-N-(2-dimethylaminoethyl)-1-(1H-imidazol-5-ylmethyl)-N-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide Formula: C27H33N7O MolecularWeight: 471.59722

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C)C(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CC=CC=C3)CC4=CN=CN4

Isomeric SMILES

CN(C)CCN(C)C(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CC=CC=C3)CC4=CN=CN4

InChI

InChI=1S/C27H33N7O/c1-31(2)11-12-32(3)27(35)34-17-23-13-22(15-28)9-10-26(23)33(18-24-16-29-20-30-24)19-25(34)14-21-7-5-4-6-8-21/h4-10,13,16,20,25H,11-12,14,17-19H2,1-3H3,(H,29,30)