2-(1-adamantyl)-3-(4-methoxyphenyl)-5-methyl-quinazolin-4-one

Systemtic Name: 2-(1-adamantyl)-3-(4-methoxyphenyl)-5-methyl-quinazolin-4-one Openeye Name: 2-(1-adamantyl)-3-(4-methoxyphenyl)-5-methyl-quinazolin-4-one CAS Name: 2-(1-adamantyl)-3-(4-methoxyphenyl)-5-methyl-4-quinazolinone IUPAC Name: 2-(1-adamantyl)-3-(4-methoxyphenyl)-5-methylquinazolin-4-one Traditional Name: 2-(1-adamantyl)-3-(4-methoxyphenyl)-5-methyl-quinazolin-4-one Formula: C26H28N2O2 MolecularWeight: 400.51272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=C(C=C3)OC)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=C(C=C3)OC)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H28N2O2/c1-16-4-3-5-22-23(16)24(29)28(20-6-8-21(30-2)9-7-20)25(27-22)26-13-17-10-18(14-26)12-19(11-17)15-26/h3-9,17-19H,10-15H2,1-2H3