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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-chloranyl-5-methoxy-4-propoxy-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-chloro-5-methoxy-4-propoxy-phenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(3-chloro-5-methoxy-4-propoxyphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-chloro-5-methoxy-4-propoxyphenyl)methanone Traditional Name: (3-chloro-5-methoxy-4-propoxy-phenyl)-(4-piperonylpiperazino)methanone Formula: C23H27ClN2O5 MolecularWeight: 446.92388

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C23H27ClN2O5/c1-3-10-29-22-18(24)12-17(13-21(22)28-2)23(27)26-8-6-25(7-9-26)14-16-4-5-19-20(11-16)31-15-30-19/h4-5,11-13H,3,6-10,14-15H2,1-2H3