N-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-1-[(2-butyl-5-pyridin-3-yl-pyrazol-3-yl)methyl]piperidine-4-carboxamide

Systemtic Name: N-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-1-[(2-butyl-5-pyridin-3-yl-pyrazol-3-yl)methyl]piperidine-4-carboxamide Openeye Name: N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-1-[[2-butyl-5-(3-pyridyl)pyrazol-3-yl]methyl]piperidine-4-carboxamide CAS Name: N-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-1-[[2-butyl-5-(3-pyridinyl)-3-pyrazolyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-1-[(2-butyl-5-pyridin-3-ylpyrazol-3-yl)methyl]piperidine-4-carboxamide Traditional Name: 1-[[2-butyl-5-(3-pyridyl)pyrazol-3-yl]methyl]-N-tyrosyl-isonipecotamide Formula: C28H36N6O3 MolecularWeight: 504.62384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=N1)C2=CN=CC=C2)CN3CCC(CC3)C(=O)NC(=O)C(CC4=CC=C(C=C4)O)N

Isomeric SMILES

CCCCN1C(=CC(=N1)C2=CN=CC=C2)CN3CCC(CC3)C(=O)NC(=O)C(CC4=CC=C(C=C4)O)N

InChI

InChI=1S/C28H36N6O3/c1-2-3-13-34-23(17-26(32-34)22-5-4-12-30-18-22)19-33-14-10-21(11-15-33)27(36)31-28(37)25(29)16-20-6-8-24(35)9-7-20/h4-9,12,17-18,21,25,35H,2-3,10-11,13-16,19,29H2,1H3,(H,31,36,37)