tert-butyl 4-[2-(3-chloranyl-2-methyl-phenyl)-4-morpholin-4-ylcarbonyl-pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(3-chloranyl-2-methyl-phenyl)-4-morpholin-4-ylcarbonyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3-chloro-2-methyl-phenyl)-4-(morpholine-4-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(3-chloro-2-methylphenyl)-4-[4-morpholinyl(oxo)methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3-chloro-2-methylphenyl)-4-(morpholine-4-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(3-chloro-2-methyl-phenyl)-4-(morpholine-4-carbonyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H33ClN4O4 MolecularWeight: 489.00692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=C(C=N2)C(=O)N3CCOCC3)C4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=C(C=N2)C(=O)N3CCOCC3)C4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H33ClN4O4/c1-17-20(26)6-5-7-21(17)30-22(19(16-27-30)23(31)28-12-14-33-15-13-28)18-8-10-29(11-9-18)24(32)34-25(2,3)4/h5-7,16,18H,8-15H2,1-4H3