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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(diethylamino)phenyl]quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(diethylamino)phenyl]quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(diethylamino)phenyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(diethylamino)phenyl]quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(diethylamino)phenyl]cinchoninamide Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O3/c1-3-30(4-2)20-12-10-19(11-13-20)28-27(31)22-16-24(29-23-8-6-5-7-21(22)23)18-9-14-25-26(15-18)33-17-32-25/h5-16H,3-4,17H2,1-2H3,(H,28,31)