ethyl 5-[(4-methylpiperazin-1-yl)carbonylamino]-1-(2-oxidanyl-2-phenyl-ethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(4-methylpiperazin-1-yl)carbonylamino]-1-(2-oxidanyl-2-phenyl-ethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-(2-hydroxy-2-phenyl-ethyl)-5-[(4-methylpiperazine-1-carbonyl)amino]pyrazole-4-carboxylate CAS Name: 1-(2-hydroxy-2-phenylethyl)-5-[[(4-methyl-1-piperazinyl)-oxomethyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-hydroxy-2-phenylethyl)-5-[(4-methylpiperazine-1-carbonyl)amino]pyrazole-4-carboxylate Traditional Name: 1-(2-hydroxy-2-phenyl-ethyl)-5-[(4-methylpiperazine-1-carbonyl)amino]pyrazole-4-carboxylic acid ethyl ester Formula: C20H27N5O4 MolecularWeight: 401.45948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)CC(C2=CC=CC=C2)O)NC(=O)N3CCN(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)CC(C2=CC=CC=C2)O)NC(=O)N3CCN(CC3)C

InChI

InChI=1S/C20H27N5O4/c1-3-29-19(27)16-13-21-25(14-17(26)15-7-5-4-6-8-15)18(16)22-20(28)24-11-9-23(2)10-12-24/h4-8,13,17,26H,3,9-12,14H2,1-2H3,(H,22,28)