N-[4-[1-[[3-(6-tert-butyl-7-chloranyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,4,6-trimethyl-phenyl]amino]-1-oxidanylidene-propan-2-yl]oxyphenyl]-2-(hydroxymethyl)-2-methyl-3-oxidanyl-propanamide

Systemtic Name: N-[4-[1-[[3-(6-tert-butyl-7-chloranyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,4,6-trimethyl-phenyl]amino]-1-oxidanylidene-propan-2-yl]oxyphenyl]-2-(hydroxymethyl)-2-methyl-3-oxidanyl-propanamide Openeye Name: N-[4-[2-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,4,6-trimethyl-anilino]-1-methyl-2-oxo-ethoxy]phenyl]-3-hydroxy-2-(hydroxymethyl)-2-methyl-propanamide CAS Name: N-[4-[1-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,4,6-trimethylanilino]-1-oxopropan-2-yl]oxyphenyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide IUPAC Name: N-[4-[1-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,4,6-trimethylanilino]-1-oxopropan-2-yl]oxyphenyl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropanamide Traditional Name: N-[4-[2-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,4,6-trimethyl-anilino]-2-keto-1-methyl-ethoxy]phenyl]-3-hydroxy-2-methyl-2-methylol-propionamide Formula: C31H39ClN6O5 MolecularWeight: 611.13156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C2=NN=C3N2NC(=C3Cl)C(C)(C)C)C)NC(=O)C(C)OC4=CC=C(C=C4)NC(=O)C(C)(CO)CO)C

Isomeric SMILES

CC1=CC(=C(C(=C1C2=NN=C3N2NC(=C3Cl)C(C)(C)C)C)NC(=O)C(C)OC4=CC=C(C=C4)NC(=O)C(C)(CO)CO)C

InChI

InChI=1S/C31H39ClN6O5/c1-16-13-17(2)24(18(3)22(16)26-35-36-27-23(32)25(30(5,6)7)37-38(26)27)34-28(41)19(4)43-21-11-9-20(10-12-21)33-29(42)31(8,14-39)15-40/h9-13,19,37,39-40H,14-15H2,1-8H3,(H,33,42)(H,34,41)