N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H22N2O4/c1-14-4-7-16(8-5-14)21-19(23)13-22(2)20(24)15-6-9-17-18(12-15)26-11-3-10-25-17/h4-9,12H,3,10-11,13H2,1-2H3,(H,21,23)