1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-[methyl(phenethyl)amino]azepan-2-one

Systemtic Name: 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-[methyl(phenethyl)amino]azepan-2-one Openeye Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[methyl(phenethyl)amino]azepan-2-one CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[methyl(phenethyl)amino]-2-azepanone IUPAC Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[methyl(phenethyl)amino]azepan-2-one Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[methyl(phenethyl)amino]azepan-2-one Formula: C23H27ClN2O3 MolecularWeight: 414.92508

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C2CCC(=O)N(CC2)CC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

CN(CCC1=CC=CC=C1)C2CCC(=O)N(CC2)CC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C23H27ClN2O3/c1-25(11-9-17-5-3-2-4-6-17)19-7-8-23(27)26(12-10-19)15-18-13-21-22(14-20(18)24)29-16-28-21/h2-6,13-14,19H,7-12,15-16H2,1H3