N-[1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-4-(2-butyl-5-isoquinolin-3-yl-pyrazol-3-yl)benzamide

Systemtic Name: N-[1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-4-(2-butyl-5-isoquinolin-3-yl-pyrazol-3-yl)benzamide Openeye Name: N-[2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]-4-[2-butyl-5-(3-isoquinolyl)pyrazol-3-yl]benzamide CAS Name: N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-[2-butyl-5-(3-isoquinolinyl)-3-pyrazolyl]benzamide IUPAC Name: N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(2-butyl-5-isoquinolin-3-ylpyrazol-3-yl)benzamide Traditional Name: N-[2-amino-1-(4-hydroxybenzyl)-2-keto-ethyl]-4-[2-butyl-5-(3-isoquinolyl)pyrazol-3-yl]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=C(C=C4)C(=O)NC(CC5=CC=C(C=C5)O)C(=O)N

Isomeric SMILES

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

InChI

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