ethyl 1-[4-[4-[2-(butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]carbonylphenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[4-[2-(butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]carbonylphenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[4-[2-(butylamino)-2-oxo-ethyl]piperazine-1-carbonyl]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[4-[[4-[2-(butylamino)-2-oxoethyl]-1-piperazinyl]-oxomethyl]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[4-[2-(butylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-[4-[2-(butylamino)-2-keto-ethyl]piperazine-1-carbonyl]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C24H33N5O4 MolecularWeight: 455.54992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OCC)C

Isomeric SMILES

CCCCNC(=O)CN1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OCC)C

InChI

InChI=1S/C24H33N5O4/c1-4-6-11-25-22(30)17-27-12-14-28(15-13-27)23(31)19-7-9-20(10-8-19)29-18(3)21(16-26-29)24(32)33-5-2/h7-10,16H,4-6,11-15,17H2,1-3H3,(H,25,30)