N-[(2S)-3-methyl-1-[2-[methyl(phenyl)amino]ethylamino]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-[2-[methyl(phenyl)amino]ethylamino]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-2-methyl-1-[2-(N-methylanilino)ethylcarbamoyl]propyl]adamantane-1-carboxamide CAS Name: N-[(2S)-3-methyl-1-[2-(N-methylanilino)ethylamino]-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-3-methyl-1-[2-(N-methylanilino)ethylamino]-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-methyl-1-[2-(N-methylanilino)ethylcarbamoyl]propyl]adamantane-1-carboxamide Formula: C25H37N3O2 MolecularWeight: 411.58018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCN(C)C1=CC=CC=C1)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCN(C)C1=CC=CC=C1)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H37N3O2/c1-17(2)22(23(29)26-9-10-28(3)21-7-5-4-6-8-21)27-24(30)25-14-18-11-19(15-25)13-20(12-18)16-25/h4-8,17-20,22H,9-16H2,1-3H3,(H,26,29)(H,27,30)/t18?,19?,20?,22-,25?/m0/s1