ethyl 9-butyl-2-oxidanylidene-5-phenyl-3,9-dihydro-1H-pyrido[3,4-e][1,4]diazepine-8-carboxylate

Systemtic Name: ethyl 9-butyl-2-oxidanylidene-5-phenyl-3,9-dihydro-1H-pyrido[3,4-e][1,4]diazepine-8-carboxylate Openeye Name: ethyl 9-butyl-2-oxo-5-phenyl-3,9-dihydro-1H-pyrido[3,4-e][1,4]diazepine-8-carboxylate CAS Name: 9-butyl-2-oxo-5-phenyl-3,9-dihydro-1H-pyrido[3,4-e][1,4]diazepine-8-carboxylic acid ethyl ester IUPAC Name: ethyl 9-butyl-2-oxo-5-phenyl-3,9-dihydro-1H-pyrido[3,4-e][1,4]diazepine-8-carboxylate Traditional Name: 9-butyl-2-keto-5-phenyl-3,9-dihydro-1H-pyrido[3,4-e][1,4]diazepine-8-carboxylic acid ethyl ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2=C(C=CN1C(=O)OCC)C(=NCC(=O)N2)C3=CC=CC=C3

Isomeric SMILES

CCCCC1C2=C(C=CN1C(=O)OCC)C(=NCC(=O)N2)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3/c1-3-5-11-17-20-16(12-13-24(17)21(26)27-4-2)19(22-14-18(25)23-20)15-9-7-6-8-10-15/h6-10,12-13,17H,3-5,11,14H2,1-2H3,(H,23,25)