N-[(E)-1-(1-adamantyl)propylideneamino]-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[(E)-1-(1-adamantyl)propylideneamino]-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-[(E)-1-(1-adamantyl)propylideneamino]-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide CAS Name: N-[(E)-1-(1-adamantyl)propylideneamino]-2-(2,4-dimethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(E)-1-(1-adamantyl)propylideneamino]-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-[(E)-1-(1-adamantyl)propylideneamino]-2-(2,4-dimethoxyphenyl)cinchoninamide Formula: C31H35N3O3 MolecularWeight: 497.6279

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=C(C=C(C=C3)OC)OC)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC/C(=N\NC(=O)C1=CC(=NC2=CC=CC=C21)C3=C(C=C(C=C3)OC)OC)/C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H35N3O3/c1-4-29(31-16-19-11-20(17-31)13-21(12-19)18-31)33-34-30(35)25-15-27(32-26-8-6-5-7-23(25)26)24-10-9-22(36-2)14-28(24)37-3/h5-10,14-15,19-21H,4,11-13,16-18H2,1-3H3,(H,34,35)/b33-29+