N-phenethyl-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidine-4-carboxamide

Systemtic Name: N-phenethyl-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidine-4-carboxamide Openeye Name: N-phenethyl-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidine-4-carboxamide CAS Name: N-phenethyl-1-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-phenethyl-1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]piperidine-4-carboxamide Traditional Name: N-phenethyl-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]isonipecotamide Formula: C28H31N5O MolecularWeight: 453.57864

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCC2=CC=CC=C2)CC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)NCCC2=CC=CC=C2)CC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

InChI

InChI=1S/C28H31N5O/c34-27(29-16-13-23-9-3-1-4-10-23)24-14-19-31(20-15-24)22-25-21-30-33(26-11-5-2-6-12-26)28(25)32-17-7-8-18-32/h1-12,17-18,21,24H,13-16,19-20,22H2,(H,29,34)