N-[[4-[(E)-3-(oxidanylamino)-3-oxidanylidene-prop-1-enyl]phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[(E)-3-(oxidanylamino)-3-oxidanylidene-prop-1-enyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[(E)-3-(hydroxyamino)-3-oxo-prop-1-enyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[(E)-3-(hydroxyamino)-3-keto-prop-1-enyl]benzyl]adamantane-1-carboxamide Formula: C21H26N2O3 MolecularWeight: 354.44274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C=CC(=O)NO

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)/C=C/C(=O)NO

InChI

InChI=1S/C21H26N2O3/c24-19(23-26)6-5-14-1-3-15(4-2-14)13-22-20(25)21-10-16-7-17(11-21)9-18(8-16)12-21/h1-6,16-18,26H,7-13H2,(H,22,25)(H,23,24)/b6-5+