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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-methoxy-4-methyl-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-methoxy-4-methyl-phenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(3-methoxy-4-methylphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone Traditional Name: (3-methoxy-4-methyl-phenyl)-(4-piperonylpiperazino)methanone Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4/c1-15-3-5-17(12-19(15)25-2)21(24)23-9-7-22(8-10-23)13-16-4-6-18-20(11-16)27-14-26-18/h3-6,11-12H,7-10,13-14H2,1-2H3