tert-butyl 4-azanyl-5-methyl-3-(4-piperidin-1-ylphenyl)pyrazole-1-carboxylate

Systemtic Name: tert-butyl 4-azanyl-5-methyl-3-(4-piperidin-1-ylphenyl)pyrazole-1-carboxylate Openeye Name: tert-butyl 4-amino-5-methyl-3-[4-(1-piperidyl)phenyl]pyrazole-1-carboxylate CAS Name: 4-amino-5-methyl-3-[4-(1-piperidinyl)phenyl]-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-amino-5-methyl-3-(4-piperidin-1-ylphenyl)pyrazole-1-carboxylate Traditional Name: 4-amino-5-methyl-3-(4-piperidinophenyl)pyrazole-1-carboxylic acid tert-butyl ester Formula: C20H28N4O2 MolecularWeight: 356.46192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)OC(C)(C)C)C2=CC=C(C=C2)N3CCCCC3)N

Isomeric SMILES

CC1=C(C(=NN1C(=O)OC(C)(C)C)C2=CC=C(C=C2)N3CCCCC3)N

InChI

InChI=1S/C20H28N4O2/c1-14-17(21)18(22-24(14)19(25)26-20(2,3)4)15-8-10-16(11-9-15)23-12-6-5-7-13-23/h8-11H,5-7,12-13,21H2,1-4H3