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

Systemtic Name: ethyl 5-azanyl-1-[4-[3-(4-phenylpiperazin-1-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-[3-(4-phenylpiperazin-1-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[oxo-[3-(4-phenyl-1-piperazinyl)propylamino]methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-[3-(4-phenylpiperazin-1-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[3-(4-phenylpiperazino)propylcarbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C26H32N6O3 MolecularWeight: 476.57068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCCN3CCN(CC3)C4=CC=CC=C4)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCCN3CCN(CC3)C4=CC=CC=C4)N

InChI

InChI=1S/C26H32N6O3/c1-2-35-26(34)23-19-29-32(24(23)27)22-11-9-20(10-12-22)25(33)28-13-6-14-30-15-17-31(18-16-30)21-7-4-3-5-8-21/h3-5,7-12,19H,2,6,13-18,27H2,1H3,(H,28,33)