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

Systemtic Name: N-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-3-[2-(4-tert-butylphenyl)-5-isoquinolin-3-yl-pyrazol-3-yl]benzamide Openeye Name: N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-3-[2-(4-tert-butylphenyl)-5-(3-isoquinolyl)pyrazol-3-yl]benzamide CAS Name: N-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-3-[2-(4-tert-butylphenyl)-5-(3-isoquinolinyl)-3-pyrazolyl]benzamide IUPAC Name: N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-3-[2-(4-tert-butylphenyl)-5-isoquinolin-3-ylpyrazol-3-yl]benzamide Traditional Name: 3-[2-(4-tert-butylphenyl)-5-(3-isoquinolyl)pyrazol-3-yl]-N-tyrosyl-benzamide Formula: C38H35N5O3 MolecularWeight: 609.7162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=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

CC(C)(C)C1=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/C38H35N5O3/c1-38(2,3)29-13-15-30(16-14-29)43-35(22-34(42-43)33-21-25-7-4-5-8-28(25)23-40-33)26-9-6-10-27(20-26)36(45)41-37(46)32(39)19-24-11-17-31(44)18-12-24/h4-18,20-23,32,44H,19,39H2,1-3H3,(H,41,45,46)