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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N7O/c1-28-23-10-11-26-22(15-23)17-34(27(35)32(4)13-12-31(2)3)25(14-21-8-6-5-7-9-21)19-33(26)18-24-16-29-20-30-24/h5-11,15-16,20,25H,12-14,17-19H2,2-4H3,(H,29,30)