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

Systemtic Name: methyl 5-azanyl-1-[4-[3-[4-(phenylmethyl)piperidin-1-yl]propylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C27H33N5O3 MolecularWeight: 475.58262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N5O3/c1-35-27(34)24-19-30-32(25(24)28)23-10-8-22(9-11-23)26(33)29-14-5-15-31-16-12-21(13-17-31)18-20-6-3-2-4-7-20/h2-4,6-11,19,21H,5,12-18,28H2,1H3,(H,29,33)