[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [2-[4-(m-tolylmethyl)piperazin-1-yl]-2-oxo-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-keto-2-[4-(3-methylbenzyl)piperazino]ethyl] ester Formula: C22H23ClN2O5 MolecularWeight: 430.88142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)COC(=O)C3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)COC(=O)C3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C22H23ClN2O5/c1-15-3-2-4-16(9-15)12-24-5-7-25(8-6-24)20(26)13-28-22(27)17-10-18(23)21-19(11-17)29-14-30-21/h2-4,9-11H,5-8,12-14H2,1H3