N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-ethylpiperazin-1-yl)propanamide; ethanedioic acid

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-ethylpiperazin-1-yl)propanamide; ethanedioic acid Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-(4-ethylpiperazin-1-yl)propanamide; oxalic acid CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-(4-ethyl-1-piperazinyl)propanamide; oxalic acid IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylpiperazin-1-yl)propanamide; oxalic acid Traditional Name: 2-(4-ethylpiperazino)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide; oxalic acid Formula: C22H31N5O6 MolecularWeight: 461.51144

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(C)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)C(C)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H29N5O2.C2H2O4/c1-5-23-11-13-24(14-12-23)16(3)19(26)21-18-15(2)22(4)25(20(18)27)17-9-7-6-8-10-17;3-1(4)2(5)6/h6-10,16H,5,11-14H2,1-4H3,(H,21,26);(H,3,4)(H,5,6)