[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 3-bromanyladamantane-1-carboxylate

Systemtic Name: [3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 3-bromanyladamantane-1-carboxylate Openeye Name: [3-(2-cyanoanilino)-3-oxo-propyl] 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid [3-(2-cyanoanilino)-3-oxopropyl] ester IUPAC Name: [3-(2-cyanoanilino)-3-oxopropyl] 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid [3-(2-cyanoanilino)-3-keto-propyl] ester Formula: C21H23BrN2O3 MolecularWeight: 431.32292

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCCC(=O)NC4=CC=CC=C4C#N

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCCC(=O)NC4=CC=CC=C4C#N

InChI

InChI=1S/C21H23BrN2O3/c22-21-10-14-7-15(11-21)9-20(8-14,13-21)19(26)27-6-5-18(25)24-17-4-2-1-3-16(17)12-23/h1-4,14-15H,5-11,13H2,(H,24,25)