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

Systemtic Name: N-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-3-[5-isoquinolin-3-yl-2-(4-propylphenyl)pyrazol-3-yl]benzamide Openeye Name: N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-3-[5-(3-isoquinolyl)-2-(4-propylphenyl)pyrazol-3-yl]benzamide CAS Name: N-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-3-[5-(3-isoquinolinyl)-2-(4-propylphenyl)-3-pyrazolyl]benzamide IUPAC Name: N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-3-[5-isoquinolin-3-yl-2-(4-propylphenyl)pyrazol-3-yl]benzamide Traditional Name: 3-[5-(3-isoquinolyl)-2-(4-propylphenyl)pyrazol-3-yl]-N-tyrosyl-benzamide Formula: C37H33N5O3 MolecularWeight: 595.68962

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC4=CC=CC=C4C=N3)C5=CC(=CC=C5)C(=O)NC(=O)C(CC6=CC=C(C=C6)O)N

Isomeric SMILES

CCCC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC4=CC=CC=C4C=N3)C5=CC(=CC=C5)C(=O)NC(=O)C(CC6=CC=C(C=C6)O)N

InChI

InChI=1S/C37H33N5O3/c1-2-6-24-11-15-30(16-12-24)42-35(22-34(41-42)33-21-26-7-3-4-8-29(26)23-39-33)27-9-5-10-28(20-27)36(44)40-37(45)32(38)19-25-13-17-31(43)18-14-25/h3-5,7-18,20-23,32,43H,2,6,19,38H2,1H3,(H,40,44,45)