4-(1,3-benzodioxol-5-ylmethyl)-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3,5-dimethoxyphenyl)-1-piperazinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide Traditional Name: N-(3,5-dimethoxyphenyl)-4-piperonyl-piperazine-1-carboxamide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-26-17-10-16(11-18(12-17)27-2)22-21(25)24-7-5-23(6-8-24)13-15-3-4-19-20(9-15)29-14-28-19/h3-4,9-12H,5-8,13-14H2,1-2H3,(H,22,25)