N-[(2S)-2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: N-[(2S)-2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-[(2S)-2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-[(2S)-2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-[(2S)-2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-[(2S)-2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-(4-pyridyl)cinchoninamide Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=NC=C3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CN(C)[C@H](CNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=NC=C3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H28N4O3/c1-31(2)24(19-9-10-25(33-3)26(15-19)34-4)17-29-27(32)21-16-23(18-11-13-28-14-12-18)30-22-8-6-5-7-20(21)22/h5-16,24H,17H2,1-4H3,(H,29,32)/t24-/m1/s1