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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[1-(3,4-dimethylphenyl)ethyl]quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[1-(3,4-dimethylphenyl)ethyl]quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[1-(3,4-dimethylphenyl)ethyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[1-(3,4-dimethylphenyl)ethyl]quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-[1-(3,4-dimethylphenyl)ethyl]cinchoninamide Formula: C27H24N2O3 MolecularWeight: 424.49106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C27H24N2O3/c1-16-8-9-19(12-17(16)2)18(3)28-27(30)22-14-24(29-23-7-5-4-6-21(22)23)20-10-11-25-26(13-20)32-15-31-25/h4-14,18H,15H2,1-3H3,(H,28,30)