ethyl 2-[3-(4-methylpiperazin-1-yl)carbonyl-5-phenyl-pyrazol-1-yl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[3-(4-methylpiperazin-1-yl)carbonyl-5-phenyl-pyrazol-1-yl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[3-(4-methylpiperazine-1-carbonyl)-5-phenyl-pyrazol-1-yl]thiazole-4-carboxylate CAS Name: 2-[3-[(4-methyl-1-piperazinyl)-oxomethyl]-5-phenyl-1-pyrazolyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-methylpiperazine-1-carbonyl)-5-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[3-(4-methylpiperazine-1-carbonyl)-5-phenyl-pyrazol-1-yl]thiazole-4-carboxylic acid ethyl ester Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)N2C(=CC(=N2)C(=O)N3CCN(CC3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)N2C(=CC(=N2)C(=O)N3CCN(CC3)C)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O3S/c1-3-29-20(28)17-14-30-21(22-17)26-18(15-7-5-4-6-8-15)13-16(23-26)19(27)25-11-9-24(2)10-12-25/h4-8,13-14H,3,9-12H2,1-2H3