methyl 5-azanyl-1-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonylphenyl]pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonylphenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[4-(2,5-dimethylphenyl)-1-piperazinyl]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C(=C(C=N4)C(=O)OC)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C(=C(C=N4)C(=O)OC)N

InChI

InChI=1S/C24H27N5O3/c1-16-4-5-17(2)21(14-16)27-10-12-28(13-11-27)23(30)18-6-8-19(9-7-18)29-22(25)20(15-26-29)24(31)32-3/h4-9,14-15H,10-13,25H2,1-3H3