2-[[[4-(1-adamantyl)phenyl]amino]methyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[[[4-(1-adamantyl)phenyl]amino]methyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[4-(1-adamantyl)anilino]methyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[4-(1-adamantyl)anilino]methyl]-6-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[4-(1-adamantyl)anilino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[4-(1-adamantyl)anilino]methyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C26H29N3O MolecularWeight: 399.52796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=NC(=CC(=O)N12)CNC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=CC2=NC(=CC(=O)N12)CNC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H29N3O/c1-17-3-2-4-24-28-23(12-25(30)29(17)24)16-27-22-7-5-21(6-8-22)26-13-18-9-19(14-26)11-20(10-18)15-26/h2-8,12,18-20,27H,9-11,13-16H2,1H3