2-[[[4-(1-adamantyl)phenyl]amino]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[[[4-(1-adamantyl)phenyl]amino]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[4-(1-adamantyl)anilino]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[4-(1-adamantyl)anilino]methyl]-7-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[4-(1-adamantyl)anilino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[4-(1-adamantyl)anilino]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C26H29N3O MolecularWeight: 399.52796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)CNC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)CNC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5)C=C1

InChI

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