N-[2-[1-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[1-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[1-[(4-hydroxy-3-methoxy-phenyl)methyl]-4-piperidyl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[1-[(4-hydroxy-3-methoxyphenyl)methyl]-4-piperidinyl]-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(1-vanillyl-4-piperidyl)pyrazol-3-yl]-piperonylamide Formula: C24H26N4O5 MolecularWeight: 450.48704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C24H26N4O5/c1-31-21-12-16(2-4-19(21)29)14-27-10-7-18(8-11-27)28-23(6-9-25-28)26-24(30)17-3-5-20-22(13-17)33-15-32-20/h2-6,9,12-13,18,29H,7-8,10-11,14-15H2,1H3,(H,26,30)