1-[2-(1-adamantyl)ethanoyl]-2-(2,4-dimethoxyphenyl)-3-(phenylmethyl)-2H-quinazolin-4-one

Systemtic Name: 1-[2-(1-adamantyl)ethanoyl]-2-(2,4-dimethoxyphenyl)-3-(phenylmethyl)-2H-quinazolin-4-one Openeye Name: 1-[2-(1-adamantyl)acetyl]-3-benzyl-2-(2,4-dimethoxyphenyl)-2H-quinazolin-4-one CAS Name: 1-[2-(1-adamantyl)-1-oxoethyl]-2-(2,4-dimethoxyphenyl)-3-(phenylmethyl)-2H-quinazolin-4-one IUPAC Name: 1-[2-(1-adamantyl)acetyl]-3-benzyl-2-(2,4-dimethoxyphenyl)-2H-quinazolin-4-one Traditional Name: 1-[2-(1-adamantyl)acetyl]-3-benzyl-2-(2,4-dimethoxyphenyl)-2H-quinazolin-4-one Formula: C35H38N2O4 MolecularWeight: 550.68722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2N(C(=O)C3=CC=CC=C3N2C(=O)CC45CC6CC(C4)CC(C6)C5)CC7=CC=CC=C7)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2N(C(=O)C3=CC=CC=C3N2C(=O)CC45CC6CC(C4)CC(C6)C5)CC7=CC=CC=C7)OC

InChI

InChI=1S/C35H38N2O4/c1-40-27-12-13-29(31(17-27)41-2)33-36(22-23-8-4-3-5-9-23)34(39)28-10-6-7-11-30(28)37(33)32(38)21-35-18-24-14-25(19-35)16-26(15-24)20-35/h3-13,17,24-26,33H,14-16,18-22H2,1-2H3