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

Systemtic Name: N-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-3-[(2-butyl-5-pyridin-3-yl-pyrazol-3-yl)methylamino]benzamide Openeye Name: N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-3-[[2-butyl-5-(3-pyridyl)pyrazol-3-yl]methylamino]benzamide CAS Name: N-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-3-[[2-butyl-5-(3-pyridinyl)-3-pyrazolyl]methylamino]benzamide IUPAC Name: N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-3-[(2-butyl-5-pyridin-3-ylpyrazol-3-yl)methylamino]benzamide Traditional Name: 3-[[2-butyl-5-(3-pyridyl)pyrazol-3-yl]methylamino]-N-tyrosyl-benzamide Formula: C29H32N6O3 MolecularWeight: 512.60278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=N1)C2=CN=CC=C2)CNC3=CC=CC(=C3)C(=O)NC(=O)C(CC4=CC=C(C=C4)O)N

Isomeric SMILES

CCCCN1C(=CC(=N1)C2=CN=CC=C2)CNC3=CC=CC(=C3)C(=O)NC(=O)C(CC4=CC=C(C=C4)O)N

InChI

InChI=1S/C29H32N6O3/c1-2-3-14-35-24(17-27(34-35)22-7-5-13-31-18-22)19-32-23-8-4-6-21(16-23)28(37)33-29(38)26(30)15-20-9-11-25(36)12-10-20/h4-13,16-18,26,32,36H,2-3,14-15,19,30H2,1H3,(H,33,37,38)