N-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-5-[2-(1-butylisoquinolin-3-yl)pyrazol-3-yl]pentanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=CC2=CC=CC=C21)N3C(=CC=N3)CCCCC(=O)NC(=O)C(CC4=CC=C(C=C4)O)N

Isomeric SMILES

CCCCC1=NC(=CC2=CC=CC=C21)N3C(=CC=N3)CCCCC(=O)NC(=O)C(CC4=CC=C(C=C4)O)N

InChI

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