[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-heptoxyphenyl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-heptoxyphenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-heptoxyphenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(4-heptoxyphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-heptoxyphenyl)methanone Traditional Name: (4-heptoxyphenyl)-(4-piperonylpiperazino)methanone Formula: C26H34N2O4 MolecularWeight: 438.55916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H34N2O4/c1-2-3-4-5-6-17-30-23-10-8-22(9-11-23)26(29)28-15-13-27(14-16-28)19-21-7-12-24-25(18-21)32-20-31-24/h7-12,18H,2-6,13-17,19-20H2,1H3