N-[(1S)-1-(1-adamantyl)-2-oxidanylidene-2-phenylazanyl-ethyl]-4-chloranyl-benzamide

Systemtic Name: N-[(1S)-1-(1-adamantyl)-2-oxidanylidene-2-phenylazanyl-ethyl]-4-chloranyl-benzamide Openeye Name: N-[(1S)-1-(1-adamantyl)-2-anilino-2-oxo-ethyl]-4-chloro-benzamide CAS Name: N-[(1S)-1-(1-adamantyl)-2-anilino-2-oxoethyl]-4-chlorobenzamide IUPAC Name: N-[(1S)-1-(1-adamantyl)-2-anilino-2-oxoethyl]-4-chlorobenzamide Traditional Name: N-[(1S)-1-(1-adamantyl)-2-anilino-2-keto-ethyl]-4-chloro-benzamide Formula: C25H27ClN2O2 MolecularWeight: 422.94708

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(C(=O)NC4=CC=CC=C4)NC(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[C@@H](C(=O)NC4=CC=CC=C4)NC(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H27ClN2O2/c26-20-8-6-19(7-9-20)23(29)28-22(24(30)27-21-4-2-1-3-5-21)25-13-16-10-17(14-25)12-18(11-16)15-25/h1-9,16-18,22H,10-15H2,(H,27,30)(H,28,29)/t16?,17?,18?,22-,25?/m1/s1