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

Systemtic Name: N-butyl-N-[2-[[2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-butyl-N-[2-[[2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-butyl-N-[2-[[2-(4-chlorophenyl)-5-phenyl-3-pyrazolyl]amino]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-butyl-N-[2-[[2-(4-chlorophenyl)-5-phenylpyrazol-3-yl]amino]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-butyl-N-[2-[[2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-keto-ethyl]adamantane-1-carboxamide Formula: C32H37ClN4O2 MolecularWeight: 545.11478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCCN(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C32H37ClN4O2/c1-2-3-13-36(31(39)32-18-22-14-23(19-32)16-24(15-22)20-32)21-30(38)34-29-17-28(25-7-5-4-6-8-25)35-37(29)27-11-9-26(33)10-12-27/h4-12,17,22-24H,2-3,13-16,18-21H2,1H3,(H,34,38)