N-[(2S)-1-[2-(1,3-benzodioxol-5-ylcarbonyl)hydrazinyl]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-1-[2-(1,3-benzodioxol-5-ylcarbonyl)hydrazinyl]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-2-[2-(1,3-benzodioxole-5-carbonyl)hydrazino]-1-methyl-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazo]-1-oxopropan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-1-oxopropan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-(N'-piperonyloylhydrazino)ethyl]adamantane-1-carboxamide Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=O)C1=CC2=C(C=C1)OCO2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@@H](C(=O)NNC(=O)C1=CC2=C(C=C1)OCO2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27N3O5/c1-12(23-21(28)22-8-13-4-14(9-22)6-15(5-13)10-22)19(26)24-25-20(27)16-2-3-17-18(7-16)30-11-29-17/h2-3,7,12-15H,4-6,8-11H2,1H3,(H,23,28)(H,24,26)(H,25,27)/t12-,13?,14?,15?,22?/m0/s1