methyl 5-azanyl-1-[4-[3-(4-propylpiperazin-1-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-[4-[3-(4-propylpiperazin-1-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-[3-(4-propylpiperazin-1-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[oxo-[3-(4-propyl-1-piperazinyl)propylamino]methyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-[3-(4-propylpiperazin-1-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[3-(4-propylpiperazino)propylcarbamoyl]phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C22H32N6O3 MolecularWeight: 428.52788

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)CCCNC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OC)N

Isomeric SMILES

CCCN1CCN(CC1)CCCNC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OC)N

InChI

InChI=1S/C22H32N6O3/c1-3-10-26-12-14-27(15-13-26)11-4-9-24-21(29)17-5-7-18(8-6-17)28-20(23)19(16-25-28)22(30)31-2/h5-8,16H,3-4,9-15,23H2,1-2H3,(H,24,29)