6-bromanyl-2-(4-butylphenyl)-N-(4-pyrrolidin-1-ylcarbonylphenyl)quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-2-(4-butylphenyl)-N-(4-pyrrolidin-1-ylcarbonylphenyl)quinoline-4-carboxamide Openeye Name: 6-bromo-2-(4-butylphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]quinoline-4-carboxamide CAS Name: 6-bromo-2-(4-butylphenyl)-N-[4-[oxo(1-pyrrolidinyl)methyl]phenyl]-4-quinolinecarboxamide IUPAC Name: 6-bromo-2-(4-butylphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]quinoline-4-carboxamide Traditional Name: 6-bromo-2-(4-butylphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]cinchoninamide Formula: C31H30BrN3O2 MolecularWeight: 556.4928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=CC=C(C=C4)C(=O)N5CCCC5

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=CC=C(C=C4)C(=O)N5CCCC5

InChI

InChI=1S/C31H30BrN3O2/c1-2-3-6-21-7-9-22(10-8-21)29-20-27(26-19-24(32)13-16-28(26)34-29)30(36)33-25-14-11-23(12-15-25)31(37)35-17-4-5-18-35/h7-16,19-20H,2-6,17-18H2,1H3,(H,33,36)