methyl 3-(3-azanylpiperidin-1-yl)-4-[(2-chlorophenyl)methyl]-1H-pyrazole-5-carboxylate

Systemtic Name: methyl 3-(3-azanylpiperidin-1-yl)-4-[(2-chlorophenyl)methyl]-1H-pyrazole-5-carboxylate Openeye Name: methyl 3-(3-amino-1-piperidyl)-4-[(2-chlorophenyl)methyl]-1H-pyrazole-5-carboxylate CAS Name: 3-(3-amino-1-piperidinyl)-4-[(2-chlorophenyl)methyl]-1H-pyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(3-aminopiperidin-1-yl)-4-[(2-chlorophenyl)methyl]-1H-pyrazole-5-carboxylate Traditional Name: 3-(3-aminopiperidino)-4-(2-chlorobenzyl)-1H-pyrazole-5-carboxylic acid methyl ester Formula: C17H21ClN4O2 MolecularWeight: 348.82724

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=NN1)N2CCCC(C2)N)CC3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C1=C(C(=NN1)N2CCCC(C2)N)CC3=CC=CC=C3Cl

InChI

InChI=1S/C17H21ClN4O2/c1-24-17(23)15-13(9-11-5-2-3-7-14(11)18)16(21-20-15)22-8-4-6-12(19)10-22/h2-3,5,7,12H,4,6,8-10,19H2,1H3,(H,20,21)