1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide

Systemtic Name: 1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide Openeye Name: 1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide CAS Name: 1-[[1-(4-fluorophenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]-N-[3-(1-pyrrolidinyl)propyl]-3-piperidinecarboxamide IUPAC Name: 1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide Traditional Name: 1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]-N-(3-pyrrolidinopropyl)nipecotamide Formula: C27H33FN6O2 MolecularWeight: 492.588323

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC(=O)C2CCCN(C2)C(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N5C=CC=C5

Isomeric SMILES

C1CCN(C1)CCCNC(=O)C2CCCN(C2)C(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N5C=CC=C5

InChI

InChI=1S/C27H33FN6O2/c28-22-8-10-23(11-9-22)34-26(32-16-3-4-17-32)24(19-30-34)27(36)33-18-5-7-21(20-33)25(35)29-12-6-15-31-13-1-2-14-31/h3-4,8-11,16-17,19,21H,1-2,5-7,12-15,18,20H2,(H,29,35)