N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1R)-1-(1,3-benzodioxol-5-ylcarbamoyl)-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1R)-1-(1,3-benzodioxol-5-ylcarbamoyl)-2-methyl-propyl]adamantane-1-carboxamide Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H30N2O4/c1-13(2)20(21(26)24-17-3-4-18-19(8-17)29-12-28-18)25-22(27)23-9-14-5-15(10-23)7-16(6-14)11-23/h3-4,8,13-16,20H,5-7,9-12H2,1-2H3,(H,24,26)(H,25,27)/t14?,15?,16?,20-,23?/m1/s1