[4-[[2-(4-ethanoyl-3,5-dimethyl-piperazin-1-yl)pyridin-4-yl]-(1H-1,2,4-triazol-5-yl)amino]phenyl]carbamic acid

Systemtic Name: [4-[[2-(4-ethanoyl-3,5-dimethyl-piperazin-1-yl)pyridin-4-yl]-(1H-1,2,4-triazol-5-yl)amino]phenyl]carbamic acid Openeye Name: [4-[[2-(4-acetyl-3,5-dimethyl-piperazin-1-yl)-4-pyridyl]-(1H-1,2,4-triazol-5-yl)amino]phenyl]carbamic acid CAS Name: [4-[[2-(4-acetyl-3,5-dimethyl-1-piperazinyl)-4-pyridinyl]-(1H-1,2,4-triazol-5-yl)amino]phenyl]carbamic acid IUPAC Name: [4-[[2-(4-acetyl-3,5-dimethylpiperazin-1-yl)pyridin-4-yl]-(1H-1,2,4-triazol-5-yl)amino]phenyl]carbamic acid Traditional Name: [4-[[2-(4-acetyl-3,5-dimethyl-piperazino)-4-pyridyl]-(1H-1,2,4-triazol-5-yl)amino]phenyl]carbamic acid Formula: C22H26N8O3 MolecularWeight: 450.49364

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C(=O)C)C)C2=NC=CC(=C2)N(C3=CC=C(C=C3)NC(=O)O)C4=NC=NN4

Isomeric SMILES

CC1CN(CC(N1C(=O)C)C)C2=NC=CC(=C2)N(C3=CC=C(C=C3)NC(=O)O)C4=NC=NN4

InChI

InChI=1S/C22H26N8O3/c1-14-11-28(12-15(2)29(14)16(3)31)20-10-19(8-9-23-20)30(21-24-13-25-27-21)18-6-4-17(5-7-18)26-22(32)33/h4-10,13-15,26H,11-12H2,1-3H3,(H,32,33)(H,24,25,27)