N-[2-[[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-N-methyl-adamantane-1-carboxamide

Systemtic Name: N-[2-[[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-N-methyl-adamantane-1-carboxamide Openeye Name: N-[2-[[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]amino]-2-oxo-ethyl]-N-methyl-adamantane-1-carboxamide CAS Name: N-[2-[[5-tert-butyl-2-(4-chlorophenyl)-3-pyrazolyl]amino]-2-oxoethyl]-N-methyl-1-adamantanecarboxamide IUPAC Name: N-[2-[[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]amino]-2-oxoethyl]-N-methyladamantane-1-carboxamide Traditional Name: N-[2-[[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]amino]-2-keto-ethyl]-N-methyl-adamantane-1-carboxamide Formula: C27H35ClN4O2 MolecularWeight: 483.0454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CN(C)C(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CN(C)C(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H35ClN4O2/c1-26(2,3)22-12-23(32(30-22)21-7-5-20(28)6-8-21)29-24(33)16-31(4)25(34)27-13-17-9-18(14-27)11-19(10-17)15-27/h5-8,12,17-19H,9-11,13-16H2,1-4H3,(H,29,33)