N-[6-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]pyridin-3-yl]-2-phenyl-butanamide

Systemtic Name: N-[6-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]pyridin-3-yl]-2-phenyl-butanamide Openeye Name: N-[6-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-pyridyl]-2-phenyl-butanamide CAS Name: N-[6-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-3-pyridinyl]-2-phenylbutanamide IUPAC Name: N-[6-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]pyridin-3-yl]-2-phenylbutanamide Traditional Name: 2-phenyl-N-[6-(4-piperonyloylpiperazino)-3-pyridyl]butyramide Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CN=C(C=C2)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CN=C(C=C2)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H28N4O4/c1-2-22(19-6-4-3-5-7-19)26(32)29-21-9-11-25(28-17-21)30-12-14-31(15-13-30)27(33)20-8-10-23-24(16-20)35-18-34-23/h3-11,16-17,22H,2,12-15,18H2,1H3,(H,29,32)