N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylphenyl]-2-ethyl-butanamide

Systemtic Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylphenyl]-2-ethyl-butanamide Openeye Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-2-ethyl-butanamide CAS Name: N-[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]phenyl]-2-ethylbutanamide IUPAC Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-2-ethylbutanamide Traditional Name: 2-ethyl-N-[4-(4-piperonylpiperazine-1-carbonyl)phenyl]butyramide Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC(CC)C(=O)NC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H31N3O4/c1-3-19(4-2)24(29)26-21-8-6-20(7-9-21)25(30)28-13-11-27(12-14-28)16-18-5-10-22-23(15-18)32-17-31-22/h5-10,15,19H,3-4,11-14,16-17H2,1-2H3,(H,26,29)