N-[(2S)-1-[(2,4-dichlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-1-[(2,4-dichlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-2-[(2,4-dichlorophenyl)methylamino]-1-methyl-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-[(2,4-dichlorophenyl)methylamino]-1-oxopropan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-[(2,4-dichlorophenyl)methylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-[(2,4-dichlorobenzyl)amino]-2-keto-1-methyl-ethyl]adamantane-1-carboxamide Formula: C21H26Cl2N2O2 MolecularWeight: 409.34934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=C(C=C(C=C1)Cl)Cl)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)NCC1=C(C=C(C=C1)Cl)Cl)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H26Cl2N2O2/c1-12(19(26)24-11-16-2-3-17(22)7-18(16)23)25-20(27)21-8-13-4-14(9-21)6-15(5-13)10-21/h2-3,7,12-15H,4-6,8-11H2,1H3,(H,24,26)(H,25,27)/t12-,13?,14?,15?,21?/m0/s1