ethyl 2-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-yl]methyl]furan-3-carboxylate

Systemtic Name: ethyl 2-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-yl]methyl]furan-3-carboxylate Openeye Name: ethyl 2-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxo-piperazin-1-yl]methyl]furan-3-carboxylate CAS Name: 2-[[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-oxo-1-piperazinyl]methyl]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-keto-piperazino]methyl]furan-3-carboxylic acid ethyl ester Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)CN2CCNC(=O)C2C3=C(N(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)CN2CCNC(=O)C2C3=C(N(N=C3C)C4=CC=CC=C4)C

InChI

InChI=1S/C23H26N4O4/c1-4-30-23(29)18-10-13-31-19(18)14-26-12-11-24-22(28)21(26)20-15(2)25-27(16(20)3)17-8-6-5-7-9-17/h5-10,13,21H,4,11-12,14H2,1-3H3,(H,24,28)