N-[1-(1,3-benzodioxol-5-yl)ethyl]-6-methyl-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-6-methyl-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-6-methyl-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-6-methyl-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-6-methyl-2-(3-pyridyl)cinchoninamide Formula: C25H21N3O3 MolecularWeight: 411.45254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC(C)C3=CC4=C(C=C3)OCO4)C5=CN=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC(C)C3=CC4=C(C=C3)OCO4)C5=CN=CC=C5

InChI

InChI=1S/C25H21N3O3/c1-15-5-7-21-19(10-15)20(12-22(28-21)18-4-3-9-26-13-18)25(29)27-16(2)17-6-8-23-24(11-17)31-14-30-23/h3-13,16H,14H2,1-2H3,(H,27,29)