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

Systemtic Name: ethyl 5-azanyl-1-[4-[3-(4-propylpiperazin-1-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H34N6O3 MolecularWeight: 442.55446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N6O3/c1-3-11-27-13-15-28(16-14-27)12-5-10-25-22(30)18-6-8-19(9-7-18)29-21(24)20(17-26-29)23(31)32-4-2/h6-9,17H,3-5,10-16,24H2,1-2H3,(H,25,30)