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

Systemtic Name: ethyl 5-azanyl-1-[4-[3-(4-piperidin-1-ylpiperidin-1-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-[3-[4-(1-piperidyl)-1-piperidyl]propylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[oxo-[3-[4-(1-piperidinyl)-1-piperidinyl]propylamino]methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-[3-(4-piperidin-1-ylpiperidin-1-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[3-(4-piperidinopiperidino)propylcarbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C26H38N6O3 MolecularWeight: 482.61832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCCN3CCC(CC3)N4CCCCC4)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCCN3CCC(CC3)N4CCCCC4)N

InChI

InChI=1S/C26H38N6O3/c1-2-35-26(34)23-19-29-32(24(23)27)22-9-7-20(8-10-22)25(33)28-13-6-14-30-17-11-21(12-18-30)31-15-4-3-5-16-31/h7-10,19,21H,2-6,11-18,27H2,1H3,(H,28,33)