ethyl 5-methyl-1-[4-[[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[4-[[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[4-[[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[4-[[2-methyl-4-(4-methyl-1-piperazinyl)anilino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[4-[[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[4-[[2-methyl-4-(4-methylpiperazino)phenyl]carbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C26H31N5O3 MolecularWeight: 461.55604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)N4CCN(CC4)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)N4CCN(CC4)C)C)C

InChI

InChI=1S/C26H31N5O3/c1-5-34-26(33)23-17-27-31(19(23)3)21-8-6-20(7-9-21)25(32)28-24-11-10-22(16-18(24)2)30-14-12-29(4)13-15-30/h6-11,16-17H,5,12-15H2,1-4H3,(H,28,32)