N-(3,5-dimethyl-1-adamantyl)-4-oxidanylidene-1-(phenylmethyl)quinoline-3-carboxamide

Systemtic Name: N-(3,5-dimethyl-1-adamantyl)-4-oxidanylidene-1-(phenylmethyl)quinoline-3-carboxamide Openeye Name: 1-benzyl-N-(3,5-dimethyl-1-adamantyl)-4-oxo-quinoline-3-carboxamide CAS Name: N-(3,5-dimethyl-1-adamantyl)-4-oxo-1-(phenylmethyl)-3-quinolinecarboxamide IUPAC Name: 1-benzyl-N-(3,5-dimethyl-1-adamantyl)-4-oxoquinoline-3-carboxamide Traditional Name: 1-benzyl-N-(3,5-dimethyl-1-adamantyl)-4-keto-quinoline-3-carboxamide Formula: C29H32N2O2 MolecularWeight: 440.57658

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)NC(=O)C4=CN(C5=CC=CC=C5C4=O)CC6=CC=CC=C6)C

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)NC(=O)C4=CN(C5=CC=CC=C5C4=O)CC6=CC=CC=C6)C

InChI

InChI=1S/C29H32N2O2/c1-27-12-21-13-28(2,17-27)19-29(14-21,18-27)30-26(33)23-16-31(15-20-8-4-3-5-9-20)24-11-7-6-10-22(24)25(23)32/h3-11,16,21H,12-15,17-19H2,1-2H3,(H,30,33)