N-[[5-(2-adamantyl)-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]carbamoyl]-2-chloranyl-benzamide

Systemtic Name: N-[[5-(2-adamantyl)-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]carbamoyl]-2-chloranyl-benzamide Openeye Name: N-[[5-(2-adamantyl)-6-oxo-cyclohexa-1,3-dien-1-yl]carbamoyl]-2-chloro-benzamide CAS Name: N-[[[5-(2-adamantyl)-6-oxo-1-cyclohexa-1,3-dienyl]amino]-oxomethyl]-2-chlorobenzamide IUPAC Name: N-[[5-(2-adamantyl)-6-oxocyclohexa-1,3-dien-1-yl]carbamoyl]-2-chlorobenzamide Traditional Name: N-[[5-(2-adamantyl)-6-keto-cyclohexa-1,3-dien-1-yl]carbamoyl]-2-chloro-benzamide Formula: C24H25ClN2O3 MolecularWeight: 424.9199

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C4C=CC=C(C4=O)NC(=O)NC(=O)C5=CC=CC=C5Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C4C=CC=C(C4=O)NC(=O)NC(=O)C5=CC=CC=C5Cl

InChI

InChI=1S/C24H25ClN2O3/c25-19-6-2-1-4-17(19)23(29)27-24(30)26-20-7-3-5-18(22(20)28)21-15-9-13-8-14(11-15)12-16(21)10-13/h1-7,13-16,18,21H,8-12H2,(H2,26,27,29,30)