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

Systemtic Name: N-[(2S)-3-methyl-1-[2-(2-methylphenyl)ethylamino]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-2-methyl-1-[2-(o-tolyl)ethylcarbamoyl]propyl]adamantane-1-carboxamide CAS Name: N-[(2S)-3-methyl-1-[2-(2-methylphenyl)ethylamino]-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-3-methyl-1-[2-(2-methylphenyl)ethylamino]-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-methyl-1-[2-(o-tolyl)ethylcarbamoyl]propyl]adamantane-1-carboxamide Formula: C25H36N2O2 MolecularWeight: 396.56554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)C(C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)[C@H](C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H36N2O2/c1-16(2)22(23(28)26-9-8-21-7-5-4-6-17(21)3)27-24(29)25-13-18-10-19(14-25)12-20(11-18)15-25/h4-7,16,18-20,22H,8-15H2,1-3H3,(H,26,28)(H,27,29)/t18?,19?,20?,22-,25?/m0/s1