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

Systemtic Name: tert-butyl N-[[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cycloheptyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[3-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-5-yl]cycloheptyl]methyl]carbamate CAS Name: N-[[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cycloheptyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cycloheptyl]methyl]carbamate Traditional Name: N-[[4-[3-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-5-yl]cycloheptyl]methyl]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)NCC1CCCC(CC1)C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=CC=NC=C4

Isomeric SMILES

CC(C)(C)OC(=O)NCC1CCCC(CC1)C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=CC=NC=C4

InChI

InChI=1S/C27H33ClN4O2/c1-27(2,3)34-26(33)30-17-18-5-4-6-20(8-7-18)24-23(19-13-15-29-16-14-19)25(32-31-24)21-9-11-22(28)12-10-21/h9-16,18,20H,4-8,17H2,1-3H3,(H,30,33)(H,31,32)