ethyl 1-(1H-imidazol-5-ylmethyl)-7-isocyano-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate

Systemtic Name: ethyl 1-(1H-imidazol-5-ylmethyl)-7-isocyano-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate Openeye Name: ethyl 3-benzyl-1-(1H-imidazol-5-ylmethyl)-7-isocyano-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate CAS Name: 1-(1H-imidazol-5-ylmethyl)-7-isocyano-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-1-(1H-imidazol-5-ylmethyl)-7-isocyano-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate Traditional Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-7-isocyano-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid ethyl ester Formula: C24H25N5O2 MolecularWeight: 415.4876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N5O2/c1-3-31-24(30)29-14-19-12-20(25-2)9-10-23(19)28(15-21-13-26-17-27-21)16-22(29)11-18-7-5-4-6-8-18/h4-10,12-13,17,22H,3,11,14-16H2,1H3,(H,26,27)