ethyl 4-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-pyrazol-4-yl]methyl-(2-methylpropyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-pyrazol-4-yl]methyl-(2-methylpropyl)amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-pyrazol-4-yl]methyl-isobutyl-amino]-4-oxo-butanoate CAS Name: 4-[[5-(4-ethyl-1-piperazinyl)-3-methyl-1-phenyl-4-pyrazolyl]methyl-(2-methylpropyl)amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]-4-oxobutanoate Traditional Name: 4-[[5-(4-ethylpiperazino)-3-methyl-1-phenyl-pyrazol-4-yl]methyl-isobutyl-amino]-4-keto-butyric acid ethyl ester Formula: C27H41N5O3 MolecularWeight: 483.64614

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=NN2C3=CC=CC=C3)C)CN(CC(C)C)C(=O)CCC(=O)OCC

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=NN2C3=CC=CC=C3)C)CN(CC(C)C)C(=O)CCC(=O)OCC

InChI

InChI=1S/C27H41N5O3/c1-6-29-15-17-30(18-16-29)27-24(22(5)28-32(27)23-11-9-8-10-12-23)20-31(19-21(3)4)25(33)13-14-26(34)35-7-2/h8-12,21H,6-7,13-20H2,1-5H3