ethyl 5-cyano-3,7-diphenyl-4,6-dihydro-1,2-diazepine-5-carboxylate

Systemtic Name: ethyl 5-cyano-3,7-diphenyl-4,6-dihydro-1,2-diazepine-5-carboxylate Openeye Name: ethyl 5-cyano-3,7-diphenyl-4,6-dihydrodiazepine-5-carboxylate CAS Name: 5-cyano-3,7-diphenyl-4,6-dihydrodiazepine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-3,7-diphenyl-4,6-dihydrodiazepine-5-carboxylate Traditional Name: 5-cyano-3,7-diphenyl-4,6-dihydrodiazepine-5-carboxylic acid ethyl ester Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC(=NN=C(C1)C2=CC=CC=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C1(CC(=NN=C(C1)C2=CC=CC=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H19N3O2/c1-2-26-20(25)21(15-22)13-18(16-9-5-3-6-10-16)23-24-19(14-21)17-11-7-4-8-12-17/h3-12H,2,13-14H2,1H3