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

Systemtic Name: N-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-3-(2-butyl-5-isoquinolin-3-yl-pyrazol-3-yl)benzamide Openeye Name: N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-3-[2-butyl-5-(3-isoquinolyl)pyrazol-3-yl]benzamide CAS Name: N-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-3-[2-butyl-5-(3-isoquinolinyl)-3-pyrazolyl]benzamide IUPAC Name: N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-3-(2-butyl-5-isoquinolin-3-ylpyrazol-3-yl)benzamide Traditional Name: 3-[2-butyl-5-(3-isoquinolyl)pyrazol-3-yl]-N-tyrosyl-benzamide Formula: C32H31N5O3 MolecularWeight: 533.62024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=N1)C2=CC3=CC=CC=C3C=N2)C4=CC(=CC=C4)C(=O)NC(=O)C(CC5=CC=C(C=C5)O)N

Isomeric SMILES

CCCCN1C(=CC(=N1)C2=CC3=CC=CC=C3C=N2)C4=CC(=CC=C4)C(=O)NC(=O)C(CC5=CC=C(C=C5)O)N

InChI

InChI=1S/C32H31N5O3/c1-2-3-15-37-30(19-29(36-37)28-18-22-7-4-5-8-25(22)20-34-28)23-9-6-10-24(17-23)31(39)35-32(40)27(33)16-21-11-13-26(38)14-12-21/h4-14,17-20,27,38H,2-3,15-16,33H2,1H3,(H,35,39,40)