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

Systemtic Name: N-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-3-[2-[(4-tert-butylphenyl)methyl]-5-isoquinolin-3-yl-pyrazol-3-yl]benzamide Openeye Name: N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-3-[2-[(4-tert-butylphenyl)methyl]-5-(3-isoquinolyl)pyrazol-3-yl]benzamide CAS Name: N-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-3-[2-[(4-tert-butylphenyl)methyl]-5-(3-isoquinolinyl)-3-pyrazolyl]benzamide IUPAC Name: N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-3-[2-[(4-tert-butylphenyl)methyl]-5-isoquinolin-3-ylpyrazol-3-yl]benzamide Traditional Name: 3-[2-(4-tert-butylbenzyl)-5-(3-isoquinolyl)pyrazol-3-yl]-N-tyrosyl-benzamide Formula: C39H37N5O3 MolecularWeight: 623.74278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C(=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)CN2C(=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/C39H37N5O3/c1-39(2,3)31-15-11-26(12-16-31)24-44-36(22-35(43-44)34-21-27-7-4-5-8-30(27)23-41-34)28-9-6-10-29(20-28)37(46)42-38(47)33(40)19-25-13-17-32(45)18-14-25/h4-18,20-23,33,45H,19,24,40H2,1-3H3,(H,42,46,47)