ethyl 5-azanyl-1-[4-[4-(phenylmethyl)piperidin-1-yl]carbonylphenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-[4-(phenylmethyl)piperidin-1-yl]carbonylphenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-(4-benzylpiperidine-1-carbonyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-(4-benzylpiperidine-1-carbonyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-(4-benzylpiperidine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCC(CC3)CC4=CC=CC=C4)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCC(CC3)CC4=CC=CC=C4)N

InChI

InChI=1S/C25H28N4O3/c1-2-32-25(31)22-17-27-29(23(22)26)21-10-8-20(9-11-21)24(30)28-14-12-19(13-15-28)16-18-6-4-3-5-7-18/h3-11,17,19H,2,12-16,26H2,1H3