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

Systemtic Name: 3-acetamido-N-[[4-[(E)-3-(oxidanylamino)-3-oxidanylidene-prop-1-enyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: 3-acetamido-N-[[4-[(E)-3-(hydroxyamino)-3-oxo-prop-1-enyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: 3-acetamido-N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: 3-acetamido-N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: 3-acetamido-N-[4-[(E)-3-(hydroxyamino)-3-keto-prop-1-enyl]benzyl]adamantane-1-carboxamide Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NCC4=CC=C(C=C4)C=CC(=O)NO

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NCC4=CC=C(C=C4)/C=C/C(=O)NO

InChI

InChI=1S/C23H29N3O4/c1-15(27)25-23-11-18-8-19(12-23)10-22(9-18,14-23)21(29)24-13-17-4-2-16(3-5-17)6-7-20(28)26-30/h2-7,18-19,30H,8-14H2,1H3,(H,24,29)(H,25,27)(H,26,28)/b7-6+