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

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-(2,4-dichlorophenyl)-3-methyl-quinoline-4-carboxamide Openeye Name: 2-(2,4-dichlorophenyl)-3-methyl-N-[4-[(1S)-1-methylpropyl]phenyl]quinoline-4-carboxamide CAS Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-(2,4-dichlorophenyl)-3-methyl-4-quinolinecarboxamide IUPAC Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamide Traditional Name: 2-(2,4-dichlorophenyl)-3-methyl-N-[4-[(1S)-1-methylpropyl]phenyl]cinchoninamide Formula: C27H24Cl2N2O MolecularWeight: 463.39826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24Cl2N2O/c1-4-16(2)18-9-12-20(13-10-18)30-27(32)25-17(3)26(21-14-11-19(28)15-23(21)29)31-24-8-6-5-7-22(24)25/h5-16H,4H2,1-3H3,(H,30,32)/t16-/m0/s1