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

Systemtic Name: N-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-3-[[2-(4-tert-butylphenyl)-5-pyridin-4-yl-pyrazol-3-yl]methylamino]benzamide Openeye Name: N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-3-[[2-(4-tert-butylphenyl)-5-(4-pyridyl)pyrazol-3-yl]methylamino]benzamide CAS Name: N-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-3-[[2-(4-tert-butylphenyl)-5-pyridin-4-yl-3-pyrazolyl]methylamino]benzamide IUPAC Name: N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-3-[[2-(4-tert-butylphenyl)-5-pyridin-4-ylpyrazol-3-yl]methylamino]benzamide Traditional Name: 3-[[2-(4-tert-butylphenyl)-5-(4-pyridyl)pyrazol-3-yl]methylamino]-N-tyrosyl-benzamide Formula: C35H36N6O3 MolecularWeight: 588.69874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=NC=C3)CNC4=CC=CC(=C4)C(=O)NC(=O)C(CC5=CC=C(C=C5)O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=NC=C3)CNC4=CC=CC(=C4)C(=O)NC(=O)C(CC5=CC=C(C=C5)O)N

InChI

InChI=1S/C35H36N6O3/c1-35(2,3)26-9-11-28(12-10-26)41-29(21-32(40-41)24-15-17-37-18-16-24)22-38-27-6-4-5-25(20-27)33(43)39-34(44)31(36)19-23-7-13-30(42)14-8-23/h4-18,20-21,31,38,42H,19,22,36H2,1-3H3,(H,39,43,44)