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

Systemtic Name: N-[(2S)-1-[2-(1,3-benzodioxol-5-ylcarbonyl)hydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-1-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazo]-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-methyl-1-[(piperonyloylamino)carbamoyl]propyl]adamantane-1-carboxamide Formula: C24H31N3O5 MolecularWeight: 441.52004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O5/c1-13(2)20(25-23(30)24-9-14-5-15(10-24)7-16(6-14)11-24)22(29)27-26-21(28)17-3-4-18-19(8-17)32-12-31-18/h3-4,8,13-16,20H,5-7,9-12H2,1-2H3,(H,25,30)(H,26,28)(H,27,29)/t14?,15?,16?,20-,24?/m0/s1