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

Systemtic Name: ethyl 5-methyl-1-[4-[4-(2-phenoxyethyl)piperazin-1-yl]carbonylphenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[4-[oxo-[4-(2-phenoxyethyl)-1-piperazinyl]methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C26H30N4O4 MolecularWeight: 462.5408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CCOC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CCOC4=CC=CC=C4)C

InChI

InChI=1S/C26H30N4O4/c1-3-33-26(32)24-19-27-30(20(24)2)22-11-9-21(10-12-22)25(31)29-15-13-28(14-16-29)17-18-34-23-7-5-4-6-8-23/h4-12,19H,3,13-18H2,1-2H3