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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-isobutoxyphenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[3-(2-methylpropoxy)phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone Traditional Name: (3-isobutoxyphenyl)-(4-piperonylpiperazino)methanone Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H28N2O4/c1-17(2)15-27-20-5-3-4-19(13-20)23(26)25-10-8-24(9-11-25)14-18-6-7-21-22(12-18)29-16-28-21/h3-7,12-13,17H,8-11,14-16H2,1-2H3