N-[3-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-3-keto-propyl]adamantane-1-carboxamide Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4)OCO2

InChI

InChI=1S/C23H28N2O5/c1-13(26)17-7-19-20(30-12-29-19)8-18(17)25-21(27)2-3-24-22(28)23-9-14-4-15(10-23)6-16(5-14)11-23/h7-8,14-16H,2-6,9-12H2,1H3,(H,24,28)(H,25,27)