N-(2-ethylhexyl)-6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide

Systemtic Name: N-(2-ethylhexyl)-6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Openeye Name: N-(2-ethylhexyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide CAS Name: N-(2-ethylhexyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide IUPAC Name: N-(2-ethylhexyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Traditional Name: N-(2-ethylhexyl)-6-keto-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C1=CC2=C(C=C1)NC3=CC=CC=C3C(=O)N2

Isomeric SMILES

CCCCC(CC)CNC(=O)C1=CC2=C(C=C1)NC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C22H27N3O2/c1-3-5-8-15(4-2)14-23-21(26)16-11-12-19-20(13-16)25-22(27)17-9-6-7-10-18(17)24-19/h6-7,9-13,15,24H,3-5,8,14H2,1-2H3,(H,23,26)(H,25,27)