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

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxamide Openeye Name: 2-(3-chlorophenyl)-3-methyl-N-[4-[(1S)-1-methylpropyl]phenyl]quinoline-4-carboxamide CAS Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-chlorophenyl)-3-methyl-4-quinolinecarboxamide IUPAC Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-chlorophenyl)-3-methylquinoline-4-carboxamide Traditional Name: 2-(3-chlorophenyl)-3-methyl-N-[4-[(1S)-1-methylpropyl]phenyl]cinchoninamide Formula: C27H25ClN2O MolecularWeight: 428.9532

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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=CC(=CC=C4)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C27H25ClN2O/c1-4-17(2)19-12-14-22(15-13-19)29-27(31)25-18(3)26(20-8-7-9-21(28)16-20)30-24-11-6-5-10-23(24)25/h5-17H,4H2,1-3H3,(H,29,31)/t17-/m0/s1