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

Systemtic Name: ethyl 5-azanyl-1-[4-[2-(4-ethylpiperazin-1-yl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H30N6O3 MolecularWeight: 414.5013

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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)OCC)N

Isomeric SMILES

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

InChI

InChI=1S/C21H30N6O3/c1-3-25-11-13-26(14-12-25)10-9-23-20(28)16-5-7-17(8-6-16)27-19(22)18(15-24-27)21(29)30-4-2/h5-8,15H,3-4,9-14,22H2,1-2H3,(H,23,28)