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

Systemtic Name: N-(1-adamantylmethyl)-N-methyl-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-(1-adamantylmethyl)-N-methyl-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-(1-adamantylmethyl)-N-methyl-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-(1-adamantylmethyl)-N-methyl-2-(4-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=CC=NC=C6

Isomeric SMILES

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

InChI

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