N-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[4-(2-ethyl-1-oxobutyl)-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[4-(2-ethylbutanoyl)piperazino]phenyl]-piperonylamide Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4/c1-3-17(4-2)24(29)27-13-11-26(12-14-27)20-8-6-19(7-9-20)25-23(28)18-5-10-21-22(15-18)31-16-30-21/h5-10,15,17H,3-4,11-14,16H2,1-2H3,(H,25,28)