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

Systemtic Name: tert-butyl N-[4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]cycloheptyl]carbamate Openeye Name: tert-butyl N-[4-[[3-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-5-yl]methyl]cycloheptyl]carbamate CAS Name: N-[4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]cycloheptyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]cycloheptyl]carbamate Traditional Name: N-[4-[[3-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-5-yl]methyl]cycloheptyl]carbamic acid tert-butyl ester Formula: C27H33ClN4O2 MolecularWeight: 481.02952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCCC(CC1)CC2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=CC=NC=C4

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCCC(CC1)CC2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=CC=NC=C4

InChI

InChI=1S/C27H33ClN4O2/c1-27(2,3)34-26(33)30-22-6-4-5-18(7-12-22)17-23-24(19-13-15-29-16-14-19)25(32-31-23)20-8-10-21(28)11-9-20/h8-11,13-16,18,22H,4-7,12,17H2,1-3H3,(H,30,33)(H,31,32)