N-[4-[(2S)-butan-2-yl]phenyl]-2-(3,4-dichlorophenyl)quinoline-4-carboxamide

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-(3,4-dichlorophenyl)quinoline-4-carboxamide Openeye Name: 2-(3,4-dichlorophenyl)-N-[4-[(1S)-1-methylpropyl]phenyl]quinoline-4-carboxamide CAS Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-(3,4-dichlorophenyl)-4-quinolinecarboxamide IUPAC Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-(3,4-dichlorophenyl)quinoline-4-carboxamide Traditional Name: 2-(3,4-dichlorophenyl)-N-[4-[(1S)-1-methylpropyl]phenyl]cinchoninamide Formula: C26H22Cl2N2O MolecularWeight: 449.37168

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C26H22Cl2N2O/c1-3-16(2)17-8-11-19(12-9-17)29-26(31)21-15-25(18-10-13-22(27)23(28)14-18)30-24-7-5-4-6-20(21)24/h4-16H,3H2,1-2H3,(H,29,31)/t16-/m0/s1