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

Systemtic Name: N-[4-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[[2-[(2-chlorophenyl)methyl]-3-pyrazolyl]amino]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-[[2-(2-chlorobenzyl)pyrazol-3-yl]amino]-4-keto-butyl]adamantane-1-carboxamide Formula: C25H31ClN4O2 MolecularWeight: 454.99224

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)NC4=CC=NN4CC5=CC=CC=C5Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)NC4=CC=NN4CC5=CC=CC=C5Cl

InChI

InChI=1S/C25H31ClN4O2/c26-21-5-2-1-4-20(21)16-30-22(7-9-28-30)29-23(31)6-3-8-27-24(32)25-13-17-10-18(14-25)12-19(11-17)15-25/h1-2,4-5,7,9,17-19H,3,6,8,10-16H2,(H,27,32)(H,29,31)