N-[(2S)-1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-2-(4-bromoanilino)-1-methyl-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-(4-bromoanilino)-2-keto-1-methyl-ethyl]adamantane-1-carboxamide Formula: C20H25BrN2O2 MolecularWeight: 405.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)Br)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H25BrN2O2/c1-12(18(24)23-17-4-2-16(21)3-5-17)22-19(25)20-9-13-6-14(10-20)8-15(7-13)11-20/h2-5,12-15H,6-11H2,1H3,(H,22,25)(H,23,24)/t12-,13?,14?,15?,20?/m0/s1