N-[4-(4-octanoylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-(4-octanoylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-(4-octanoylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[4-(1-oxooctyl)-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-(4-octanoylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(4-caprylylpiperazino)phenyl]-piperonylamide Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H33N3O4/c1-2-3-4-5-6-7-25(30)29-16-14-28(15-17-29)22-11-9-21(10-12-22)27-26(31)20-8-13-23-24(18-20)33-19-32-23/h8-13,18H,2-7,14-17,19H2,1H3,(H,27,31)