ethyl 5-azanyl-1-[4-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[2-(4-methyl-1-piperazinyl)ethylamino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[2-(4-methylpiperazino)ethylcarbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C20H28N6O3 MolecularWeight: 400.47472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCN3CCN(CC3)C)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCN3CCN(CC3)C)N

InChI

InChI=1S/C20H28N6O3/c1-3-29-20(28)17-14-23-26(18(17)21)16-6-4-15(5-7-16)19(27)22-8-9-25-12-10-24(2)11-13-25/h4-7,14H,3,8-13,21H2,1-2H3,(H,22,27)