N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-(1-methyl-2-pyrrolyl)-4-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide Traditional Name: 6-methyl-2-(1-methylpyrrol-2-yl)-N-piperonyl-cinchoninamide Formula: C24H21N3O3 MolecularWeight: 399.44184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=CN5C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=CN5C

InChI

InChI=1S/C24H21N3O3/c1-15-5-7-19-17(10-15)18(12-20(26-19)21-4-3-9-27(21)2)24(28)25-13-16-6-8-22-23(11-16)30-14-29-22/h3-12H,13-14H2,1-2H3,(H,25,28)