ethyl 5-azanyl-1-[4-[3-(4-ethylpiperazin-1-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-[3-(4-ethylpiperazin-1-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-[3-(4-ethylpiperazin-1-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[3-(4-ethyl-1-piperazinyl)propylamino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-[3-(4-ethylpiperazin-1-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[3-(4-ethylpiperazino)propylcarbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C22H32N6O3 MolecularWeight: 428.52788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N6O3/c1-3-26-12-14-27(15-13-26)11-5-10-24-21(29)17-6-8-18(9-7-17)28-20(23)19(16-25-28)22(30)31-4-2/h6-9,16H,3-5,10-15,23H2,1-2H3,(H,24,29)