N-[(3-bromophenyl)methyl]-7,8-dimethyl-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: N-[(3-bromophenyl)methyl]-7,8-dimethyl-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-[(3-bromophenyl)methyl]-7,8-dimethyl-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-[(3-bromophenyl)methyl]-7,8-dimethyl-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[(3-bromophenyl)methyl]-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-(3-bromobenzyl)-7,8-dimethyl-2-(3-pyridyl)cinchoninamide Formula: C24H20BrN3O MolecularWeight: 446.3391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)NCC4=CC(=CC=C4)Br)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)NCC4=CC(=CC=C4)Br)C

InChI

InChI=1S/C24H20BrN3O/c1-15-8-9-20-21(24(29)27-13-17-5-3-7-19(25)11-17)12-22(28-23(20)16(15)2)18-6-4-10-26-14-18/h3-12,14H,13H2,1-2H3,(H,27,29)