ethyl (6E)-N-imidazol-1-ylcarbonyl-5,7-dihydrobenzo[d][2]benzazepine-6-carboximidate

Systemtic Name: ethyl (6E)-N-imidazol-1-ylcarbonyl-5,7-dihydrobenzo[d][2]benzazepine-6-carboximidate Openeye Name: ethyl (6E)-N-(imidazole-1-carbonyl)-5,7-dihydrobenzo[d][2]benzazepine-6-carboximidate CAS Name: (6E)-N-[1-imidazolyl(oxo)methyl]-5,7-dihydrobenzo[d][2]benzazepine-6-carboximidic acid ethyl ester IUPAC Name: ethyl (6E)-N-(imidazole-1-carbonyl)-5,7-dihydrobenzo[d][2]benzazepine-6-carboximidate Traditional Name: (6E)-N-(imidazole-1-carbonyl)-5,7-dihydrobenzo[d][2]benzazepine-6-carboximidic acid ethyl ester Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=NC(=O)N1C=CN=C1)N2CC3=CC=CC=C3C4=CC=CC=C4C2

Isomeric SMILES

CCO/C(=N/C(=O)N1C=CN=C1)/N2CC3=CC=CC=C3C4=CC=CC=C4C2

InChI

InChI=1S/C21H20N4O2/c1-2-27-21(23-20(26)24-12-11-22-15-24)25-13-16-7-3-5-9-18(16)19-10-6-4-8-17(19)14-25/h3-12,15H,2,13-14H2,1H3/b23-21+