N-[1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-6-[2-(4-tert-butylphenyl)-5-isoquinolin-3-yl-pyrazol-3-yl]hexanamide

Systemtic Name: N-[1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-6-[2-(4-tert-butylphenyl)-5-isoquinolin-3-yl-pyrazol-3-yl]hexanamide Openeye Name: N-[2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]-6-[2-(4-tert-butylphenyl)-5-(3-isoquinolyl)pyrazol-3-yl]hexanamide CAS Name: N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-6-[2-(4-tert-butylphenyl)-5-(3-isoquinolinyl)-3-pyrazolyl]hexanamide IUPAC Name: N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-6-[2-(4-tert-butylphenyl)-5-isoquinolin-3-ylpyrazol-3-yl]hexanamide Traditional Name: N-[2-amino-1-(4-hydroxybenzyl)-2-keto-ethyl]-6-[2-(4-tert-butylphenyl)-5-(3-isoquinolyl)pyrazol-3-yl]hexanamide Formula: C37H41N5O3 MolecularWeight: 603.75314

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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)CCCCCC(=O)NC(CC5=CC=C(C=C5)O)C(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC4=CC=CC=C4C=N3)CCCCCC(=O)NC(CC5=CC=C(C=C5)O)C(=O)N

InChI

InChI=1S/C37H41N5O3/c1-37(2,3)28-15-17-29(18-16-28)42-30(23-33(41-42)32-22-26-9-7-8-10-27(26)24-39-32)11-5-4-6-12-35(44)40-34(36(38)45)21-25-13-19-31(43)20-14-25/h7-10,13-20,22-24,34,43H,4-6,11-12,21H2,1-3H3,(H2,38,45)(H,40,44)