3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-(4-methoxyphenyl)amino]propanamide

Systemtic Name: 3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-(4-methoxyphenyl)amino]propanamide Openeye Name: 3-[N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-methoxy-anilino]propanamide CAS Name: 3-[N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-methoxyanilino]propanamide IUPAC Name: 3-[N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-methoxyanilino]propanamide Traditional Name: 3-[N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-methoxy-anilino]propionamide Formula: C20H23ClN2O4 MolecularWeight: 390.86062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CCC(=O)N)CC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

COC1=CC=C(C=C1)N(CCC(=O)N)CC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C20H23ClN2O4/c1-25-16-5-3-15(4-6-16)23(8-7-19(22)24)13-14-11-17(21)20-18(12-14)26-9-2-10-27-20/h3-6,11-12H,2,7-10,13H2,1H3,(H2,22,24)