[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3-ethoxy-4-(4-pyridylmethoxy)phenyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]methanone Traditional Name: [3-ethoxy-4-(4-pyridylmethoxy)phenyl]-(4-piperonylpiperazino)methanone Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OCC5=CC=NC=C5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OCC5=CC=NC=C5

InChI

InChI=1S/C27H29N3O5/c1-2-32-26-16-22(4-6-23(26)33-18-20-7-9-28-10-8-20)27(31)30-13-11-29(12-14-30)17-21-3-5-24-25(15-21)35-19-34-24/h3-10,15-16H,2,11-14,17-19H2,1H3