tert-butyl 4-[2-phenyl-4-(pyridin-3-ylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-phenyl-4-(pyridin-3-ylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-phenyl-4-(3-pyridylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[oxo-(3-pyridinylamino)methyl]-2-phenyl-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-phenyl-4-(pyridin-3-ylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-phenyl-4-(3-pyridylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=CC=C3)C(=O)NC4=CN=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=CC=C3)C(=O)NC4=CN=CC=C4

InChI

InChI=1S/C25H29N5O3/c1-25(2,3)33-24(32)29-14-11-18(12-15-29)22-21(23(31)28-19-8-7-13-26-16-19)17-27-30(22)20-9-5-4-6-10-20/h4-10,13,16-18H,11-12,14-15H2,1-3H3,(H,28,31)