N-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-5-(2-butyl-5-quinolin-3-yl-pyrazol-3-yl)pentanamide

Systemtic Name: N-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-5-(2-butyl-5-quinolin-3-yl-pyrazol-3-yl)pentanamide Openeye Name: N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-5-[2-butyl-5-(3-quinolyl)pyrazol-3-yl]pentanamide CAS Name: N-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-5-[2-butyl-5-(3-quinolinyl)-3-pyrazolyl]pentanamide IUPAC Name: N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-5-(2-butyl-5-quinolin-3-ylpyrazol-3-yl)pentanamide Traditional Name: 5-[2-butyl-5-(3-quinolyl)pyrazol-3-yl]-N-tyrosyl-valeramide Formula: C30H35N5O3 MolecularWeight: 513.6306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=N1)C2=CC3=CC=CC=C3N=C2)CCCCC(=O)NC(=O)C(CC4=CC=C(C=C4)O)N

Isomeric SMILES

CCCCN1C(=CC(=N1)C2=CC3=CC=CC=C3N=C2)CCCCC(=O)NC(=O)C(CC4=CC=C(C=C4)O)N

InChI

InChI=1S/C30H35N5O3/c1-2-3-16-35-24(19-28(34-35)23-18-22-8-4-6-10-27(22)32-20-23)9-5-7-11-29(37)33-30(38)26(31)17-21-12-14-25(36)15-13-21/h4,6,8,10,12-15,18-20,26,36H,2-3,5,7,9,11,16-17,31H2,1H3,(H,33,37,38)