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

Systemtic Name: ethyl 5-azanyl-1-[4-[3-[4-(phenylmethyl)piperidin-1-yl]propylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-[3-(4-benzyl-1-piperidyl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[oxo-[3-[4-(phenylmethyl)-1-piperidinyl]propylamino]methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-[3-(4-benzylpiperidin-1-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[3-(4-benzylpiperidino)propylcarbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C28H35N5O3 MolecularWeight: 489.6092

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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)CC4=CC=CC=C4)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCCN3CCC(CC3)CC4=CC=CC=C4)N

InChI

InChI=1S/C28H35N5O3/c1-2-36-28(35)25-20-31-33(26(25)29)24-11-9-23(10-12-24)27(34)30-15-6-16-32-17-13-22(14-18-32)19-21-7-4-3-5-8-21/h3-5,7-12,20,22H,2,6,13-19,29H2,1H3,(H,30,34)