tert-butyl N-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cycloheptyl]carbamate

Systemtic Name: tert-butyl N-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cycloheptyl]carbamate Openeye Name: tert-butyl N-[4-[3-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-5-yl]cycloheptyl]carbamate CAS Name: N-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cycloheptyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cycloheptyl]carbamate Traditional Name: N-[4-[3-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-5-yl]cycloheptyl]carbamic acid tert-butyl ester Formula: C26H31ClN4O2 MolecularWeight: 467.00294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCCC(CC1)C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=CC=NC=C4

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCCC(CC1)C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=CC=NC=C4

InChI

InChI=1S/C26H31ClN4O2/c1-26(2,3)33-25(32)29-21-6-4-5-18(9-12-21)23-22(17-13-15-28-16-14-17)24(31-30-23)19-7-10-20(27)11-8-19/h7-8,10-11,13-16,18,21H,4-6,9,12H2,1-3H3,(H,29,32)(H,30,31)