6-chloranyl-N-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-N-propyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-N-propyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[2-(2-methylanilino)-2-oxo-ethyl]-N-propyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[2-keto-2-(o-toluidino)ethyl]-N-propyl-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C22H25ClN2O4 MolecularWeight: 416.8979

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C22H25ClN2O4/c1-3-9-25(14-20(26)24-18-8-5-4-7-15(18)2)22(27)16-12-17(23)21-19(13-16)28-10-6-11-29-21/h4-5,7-8,12-13H,3,6,9-11,14H2,1-2H3,(H,24,26)