4-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]-N-naphthalen-2-yl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]-N-naphthalen-2-yl-1,4-diazepane-1-carboxamide Openeye Name: 4-[2-(2,6-diethylanilino)-2-oxo-ethyl]-N-(2-naphthyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[2-(2,6-diethylanilino)-2-oxoethyl]-N-(2-naphthalenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[2-(2,6-diethylanilino)-2-oxoethyl]-N-naphthalen-2-yl-1,4-diazepane-1-carboxamide Traditional Name: 4-[2-(2,6-diethylanilino)-2-keto-ethyl]-N-(2-naphthyl)-1,4-diazepane-1-carboxamide Formula: C28H34N4O2 MolecularWeight: 458.59516

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)C(=O)NC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)C(=O)NC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H34N4O2/c1-3-21-11-7-12-22(4-2)27(21)30-26(33)20-31-15-8-16-32(18-17-31)28(34)29-25-14-13-23-9-5-6-10-24(23)19-25/h5-7,9-14,19H,3-4,8,15-18,20H2,1-2H3,(H,29,34)(H,30,33)