methyl 5-azanyl-1-[4-(4-piperidin-1-ylpiperidin-1-yl)carbonylphenyl]pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-[4-(4-piperidin-1-ylpiperidin-1-yl)carbonylphenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-[4-(1-piperidyl)piperidine-1-carbonyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[oxo-[4-(1-piperidinyl)-1-piperidinyl]methyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-(4-piperidinopiperidine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCC(CC3)N4CCCCC4)N

Isomeric SMILES

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCC(CC3)N4CCCCC4)N

InChI

InChI=1S/C22H29N5O3/c1-30-22(29)19-15-24-27(20(19)23)18-7-5-16(6-8-18)21(28)26-13-9-17(10-14-26)25-11-3-2-4-12-25/h5-8,15,17H,2-4,9-14,23H2,1H3