N-[(2S)-1-(1-adamantylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-4-methyl-benzamide

Systemtic Name: N-[(2S)-1-(1-adamantylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-4-methyl-benzamide Openeye Name: N-[(1S)-1-(1-adamantylcarbamoyl)-2-methyl-propyl]-4-methyl-benzamide CAS Name: N-[(2S)-1-(1-adamantylamino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide IUPAC Name: N-[(2S)-1-(1-adamantylamino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide Traditional Name: N-[(1S)-1-(1-adamantylcarbamoyl)-2-methyl-propyl]-4-methyl-benzamide Formula: C23H32N2O2 MolecularWeight: 368.51238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H32N2O2/c1-14(2)20(24-21(26)19-6-4-15(3)5-7-19)22(27)25-23-11-16-8-17(12-23)10-18(9-16)13-23/h4-7,14,16-18,20H,8-13H2,1-3H3,(H,24,26)(H,25,27)/t16?,17?,18?,20-,23?/m0/s1