[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methyl-2-oxidanyl-phenyl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methyl-2-oxidanyl-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-hydroxy-4-methyl-phenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(2-hydroxy-4-methylphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-hydroxy-4-methylphenyl)methanone Traditional Name: (2-hydroxy-4-methyl-phenyl)-(4-piperonylpiperazino)methanone Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C20H22N2O4/c1-14-2-4-16(17(23)10-14)20(24)22-8-6-21(7-9-22)12-15-3-5-18-19(11-15)26-13-25-18/h2-5,10-11,23H,6-9,12-13H2,1H3