N-(4-heptoxyphenyl)-4-(5-methyl-1,3-benzodioxol-4-yl)piperazine-1-carboxamide

Systemtic Name: N-(4-heptoxyphenyl)-4-(5-methyl-1,3-benzodioxol-4-yl)piperazine-1-carboxamide Openeye Name: N-(4-heptoxyphenyl)-4-(5-methyl-1,3-benzodioxol-4-yl)piperazine-1-carboxamide CAS Name: N-(4-heptoxyphenyl)-4-(5-methyl-1,3-benzodioxol-4-yl)-1-piperazinecarboxamide IUPAC Name: N-(4-heptoxyphenyl)-4-(5-methyl-1,3-benzodioxol-4-yl)piperazine-1-carboxamide Traditional Name: N-(4-heptoxyphenyl)-4-(5-methyl-1,3-benzodioxol-4-yl)piperazine-1-carboxamide Formula: C26H35N3O4 MolecularWeight: 453.5738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C(C=CC4=C3OCO4)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C(C=CC4=C3OCO4)C

InChI

InChI=1S/C26H35N3O4/c1-3-4-5-6-7-18-31-22-11-9-21(10-12-22)27-26(30)29-16-14-28(15-17-29)24-20(2)8-13-23-25(24)33-19-32-23/h8-13H,3-7,14-19H2,1-2H3,(H,27,30)