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

Systemtic Name: N-[1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-5-(2-butyl-5-isoquinolin-3-yl-pyrazol-3-yl)pentanamide Openeye Name: N-[2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]-5-[2-butyl-5-(3-isoquinolyl)pyrazol-3-yl]pentanamide CAS Name: N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[2-butyl-5-(3-isoquinolinyl)-3-pyrazolyl]pentanamide IUPAC Name: N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-(2-butyl-5-isoquinolin-3-ylpyrazol-3-yl)pentanamide Traditional Name: N-[2-amino-1-(4-hydroxybenzyl)-2-keto-ethyl]-5-[2-butyl-5-(3-isoquinolyl)pyrazol-3-yl]valeramide Formula: C30H35N5O3 MolecularWeight: 513.6306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=N1)C2=CC3=CC=CC=C3C=N2)CCCCC(=O)NC(CC4=CC=C(C=C4)O)C(=O)N

Isomeric SMILES

CCCCN1C(=CC(=N1)C2=CC3=CC=CC=C3C=N2)CCCCC(=O)NC(CC4=CC=C(C=C4)O)C(=O)N

InChI

InChI=1S/C30H35N5O3/c1-2-3-16-35-24(19-27(34-35)26-18-22-8-4-5-9-23(22)20-32-26)10-6-7-11-29(37)33-28(30(31)38)17-21-12-14-25(36)15-13-21/h4-5,8-9,12-15,18-20,28,36H,2-3,6-7,10-11,16-17H2,1H3,(H2,31,38)(H,33,37)