N-[3-(azepan-1-ylcarbonyl)phenyl]-2-(4-bromophenyl)-8-methyl-quinoline-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ylcarbonyl)phenyl]-2-(4-bromophenyl)-8-methyl-quinoline-4-carboxamide Openeye Name: N-[3-(azepane-1-carbonyl)phenyl]-2-(4-bromophenyl)-8-methyl-quinoline-4-carboxamide CAS Name: N-[3-[1-azepanyl(oxo)methyl]phenyl]-2-(4-bromophenyl)-8-methyl-4-quinolinecarboxamide IUPAC Name: N-[3-(azepane-1-carbonyl)phenyl]-2-(4-bromophenyl)-8-methylquinoline-4-carboxamide Traditional Name: N-[3-(azepane-1-carbonyl)phenyl]-2-(4-bromophenyl)-8-methyl-cinchoninamide Formula: C30H28BrN3O2 MolecularWeight: 542.46622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)NC3=CC=CC(=C3)C(=O)N4CCCCCC4)C5=CC=C(C=C5)Br

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)NC3=CC=CC(=C3)C(=O)N4CCCCCC4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C30H28BrN3O2/c1-20-8-6-11-25-26(19-27(33-28(20)25)21-12-14-23(31)15-13-21)29(35)32-24-10-7-9-22(18-24)30(36)34-16-4-2-3-5-17-34/h6-15,18-19H,2-5,16-17H2,1H3,(H,32,35)