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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=CC2=CC=CC=C21)N3C(=CC=N3)C4=CC=C(C=C4)C(=O)NC(=O)C(CC5=CC=C(C=C5)O)N

Isomeric SMILES

CCCCC1=NC(=CC2=CC=CC=C21)N3C(=CC=N3)C4=CC=C(C=C4)C(=O)NC(=O)C(CC5=CC=C(C=C5)O)N

InChI

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