N-[1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-5-[2-(4-tert-butylphenyl)-5-pyridin-4-yl-1H-pyrazol-2-ium-3-yl]pentanamide

Systemtic Name: N-[1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-5-[2-(4-tert-butylphenyl)-5-pyridin-4-yl-1H-pyrazol-2-ium-3-yl]pentanamide Openeye Name: N-[2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]-5-[2-(4-tert-butylphenyl)-5-(4-pyridyl)-1H-pyrazol-2-ium-3-yl]pentanamide CAS Name: N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[2-(4-tert-butylphenyl)-5-pyridin-4-yl-1H-pyrazol-2-ium-3-yl]pentanamide IUPAC Name: N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[2-(4-tert-butylphenyl)-5-pyridin-4-yl-1H-pyrazol-2-ium-3-yl]pentanamide Traditional Name: N-[2-amino-1-(4-hydroxybenzyl)-2-keto-ethyl]-5-[2-(4-tert-butylphenyl)-5-(4-pyridyl)-1H-pyrazol-2-ium-3-yl]valeramide Formula: C32H38N5O3+ MolecularWeight: 540.67582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)[N+]2=C(C=C(N2)C3=CC=NC=C3)CCCCC(=O)NC(CC4=CC=C(C=C4)O)C(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[N+]2=C(C=C(N2)C3=CC=NC=C3)CCCCC(=O)NC(CC4=CC=C(C=C4)O)C(=O)N

InChI

InChI=1S/C32H37N5O3/c1-32(2,3)24-10-12-25(13-11-24)37-26(21-28(36-37)23-16-18-34-19-17-23)6-4-5-7-30(39)35-29(31(33)40)20-22-8-14-27(38)15-9-22/h8-19,21,29H,4-7,20H2,1-3H3,(H4,33,35,38,39,40)/p+1