N-[(2S)-1-[(2-chloranyl-4-methyl-phenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-1-[(2-chloranyl-4-methyl-phenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-1-[(2-chloro-4-methyl-phenyl)carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-(2-chloro-4-methylanilino)-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-(2-chloro-4-methylanilino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-1-[(2-chloro-4-methyl-phenyl)carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C23H31ClN2O2 MolecularWeight: 402.95744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3)Cl

InChI

InChI=1S/C23H31ClN2O2/c1-13(2)20(21(27)25-19-5-4-14(3)6-18(19)24)26-22(28)23-10-15-7-16(11-23)9-17(8-15)12-23/h4-6,13,15-17,20H,7-12H2,1-3H3,(H,25,27)(H,26,28)/t15?,16?,17?,20-,23?/m0/s1