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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-methoxy-2-oxidanyl-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-hydroxy-3-methoxy-phenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(2-hydroxy-3-methoxyphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone Traditional Name: (2-hydroxy-3-methoxy-phenyl)-(4-piperonylpiperazino)methanone Formula: C20H22N2O5 MolecularWeight: 370.39908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC(=C1O)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N2O5/c1-25-17-4-2-3-15(19(17)23)20(24)22-9-7-21(8-10-22)12-14-5-6-16-18(11-14)27-13-26-16/h2-6,11,23H,7-10,12-13H2,1H3