N-(1,3-benzodioxol-5-ylmethyl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[oxo-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide Traditional Name: 1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)-N-piperonyl-isonipecotamide Formula: C28H27N5O4 MolecularWeight: 497.54508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C4=C(N(N=C4)C5=CC=CC=C5)N6C=CC=C6

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C4=C(N(N=C4)C5=CC=CC=C5)N6C=CC=C6

InChI

InChI=1S/C28H27N5O4/c34-26(29-17-20-8-9-24-25(16-20)37-19-36-24)21-10-14-32(15-11-21)28(35)23-18-30-33(22-6-2-1-3-7-22)27(23)31-12-4-5-13-31/h1-9,12-13,16,18,21H,10-11,14-15,17,19H2,(H,29,34)