methyl 5-azanyl-1-[4-[2-(4-ethylpiperazin-1-yl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCNC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OC)N

Isomeric SMILES

CCN1CCN(CC1)CCNC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OC)N

InChI

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