N-(oxolan-2-ylmethyl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(oxolan-2-ylmethyl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonyl-piperidine-4-carboxamide Openeye Name: 1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)-N-(tetrahydrofuran-2-ylmethyl)piperidine-4-carboxamide CAS Name: N-(2-oxolanylmethyl)-1-[oxo-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-(oxolan-2-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-(tetrahydrofurfuryl)isonipecotamide Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2CCN(CC2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

C1CC(OC1)CNC(=O)C2CCN(CC2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

InChI

InChI=1S/C25H29N5O3/c31-23(26-17-21-9-6-16-33-21)19-10-14-29(15-11-19)25(32)22-18-27-30(20-7-2-1-3-8-20)24(22)28-12-4-5-13-28/h1-5,7-8,12-13,18-19,21H,6,9-11,14-17H2,(H,26,31)