1-(4-bromanyl-3-methyl-phenyl)-5-oxidanylidene-N-[3-(2-oxidanylideneazepan-1-yl)propyl]pyrrolidine-3-carboxamide

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)-5-oxidanylidene-N-[3-(2-oxidanylideneazepan-1-yl)propyl]pyrrolidine-3-carboxamide Openeye Name: 1-(4-bromo-3-methyl-phenyl)-5-oxo-N-[3-(2-oxoazepan-1-yl)propyl]pyrrolidine-3-carboxamide CAS Name: 1-(4-bromo-3-methylphenyl)-5-oxo-N-[3-(2-oxo-1-azepanyl)propyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(4-bromo-3-methylphenyl)-5-oxo-N-[3-(2-oxoazepan-1-yl)propyl]pyrrolidine-3-carboxamide Traditional Name: 1-(4-bromo-3-methyl-phenyl)-5-keto-N-[3-(2-ketoazepan-1-yl)propyl]pyrrolidine-3-carboxamide Formula: C21H28BrN3O3 MolecularWeight: 450.36932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC(CC2=O)C(=O)NCCCN3CCCCCC3=O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC(CC2=O)C(=O)NCCCN3CCCCCC3=O)Br

InChI

InChI=1S/C21H28BrN3O3/c1-15-12-17(7-8-18(15)22)25-14-16(13-20(25)27)21(28)23-9-5-11-24-10-4-2-3-6-19(24)26/h7-8,12,16H,2-6,9-11,13-14H2,1H3,(H,23,28)