N-(1-adamantylmethyl)-N-methyl-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-N-methyl-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-(1-adamantylmethyl)-N-methyl-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-(1-adamantylmethyl)-N-methyl-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-(1-adamantylmethyl)-N-methyl-2-(3-pyridyl)cinchoninamide Formula: C27H29N3O MolecularWeight: 411.53866

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC12CC3CC(C1)CC(C3)C2)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CN=CC=C6

Isomeric SMILES

CN(CC12CC3CC(C1)CC(C3)C2)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CN=CC=C6

InChI

InChI=1S/C27H29N3O/c1-30(17-27-13-18-9-19(14-27)11-20(10-18)15-27)26(31)23-12-25(21-5-4-8-28-16-21)29-24-7-3-2-6-22(23)24/h2-8,12,16,18-20H,9-11,13-15,17H2,1H3