(3S)-N-(1-adamantyl)-1-(4-bromophenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-(1-adamantyl)-1-(4-bromophenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-(1-adamantyl)-1-(4-bromophenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-N-(1-adamantyl)-1-(4-bromophenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-(1-adamantyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-N-(1-adamantyl)-1-(4-bromophenyl)-5-keto-pyrrolidine-3-carboxamide Formula: C21H25BrN2O2 MolecularWeight: 417.3394

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4CC(=O)N(C4)C5=CC=C(C=C5)Br

Isomeric SMILES

C1[C@@H](CN(C1=O)C2=CC=C(C=C2)Br)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H25BrN2O2/c22-17-1-3-18(4-2-17)24-12-16(8-19(24)25)20(26)23-21-9-13-5-14(10-21)7-15(6-13)11-21/h1-4,13-16H,5-12H2,(H,23,26)/t13?,14?,15?,16-,21?/m0/s1