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

Systemtic Name: N-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-5-(2-butyl-5-isoquinolin-3-yl-pyrazol-3-yl)pentanamide Openeye Name: N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-5-[2-butyl-5-(3-isoquinolyl)pyrazol-3-yl]pentanamide CAS Name: N-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-5-[2-butyl-5-(3-isoquinolinyl)-3-pyrazolyl]pentanamide IUPAC Name: N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-5-(2-butyl-5-isoquinolin-3-ylpyrazol-3-yl)pentanamide Traditional Name: 5-[2-butyl-5-(3-isoquinolyl)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=C3C=N2)CCCCC(=O)NC(=O)C(CC4=CC=C(C=C4)O)N

Isomeric SMILES

CCCCN1C(=CC(=N1)C2=CC3=CC=CC=C3C=N2)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)27-18-22-8-4-5-9-23(22)20-32-27)10-6-7-11-29(37)33-30(38)26(31)17-21-12-14-25(36)15-13-21/h4-5,8-9,12-15,18-20,26,36H,2-3,6-7,10-11,16-17,31H2,1H3,(H,33,37,38)