methyl 3-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]carbonylbenzoate

Systemtic Name: methyl 3-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]carbonylbenzoate Openeye Name: methyl 3-[4-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]benzoate CAS Name: 3-[oxo-[4-(4-phenyl-1H-pyrazol-5-yl)-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]benzoate Traditional Name: 3-[4-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]benzoic acid methyl ester Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)N2CCC(CC2)C3=C(C=NN3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)N2CCC(CC2)C3=C(C=NN3)C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3/c1-29-23(28)19-9-5-8-18(14-19)22(27)26-12-10-17(11-13-26)21-20(15-24-25-21)16-6-3-2-4-7-16/h2-9,14-15,17H,10-13H2,1H3,(H,24,25)