2-(1-adamantyl)-N-[4-oxidanylidene-3-(phenylmethyl)quinazolin-6-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[4-oxidanylidene-3-(phenylmethyl)quinazolin-6-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-(3-benzyl-4-oxo-quinazolin-6-yl)acetamide CAS Name: 2-(1-adamantyl)-N-[4-oxo-3-(phenylmethyl)-6-quinazolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-(3-benzyl-4-oxoquinazolin-6-yl)acetamide Traditional Name: 2-(1-adamantyl)-N-(3-benzyl-4-keto-quinazolin-6-yl)acetamide Formula: C27H29N3O2 MolecularWeight: 427.53806

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC5=C(C=C4)N=CN(C5=O)CC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC5=C(C=C4)N=CN(C5=O)CC6=CC=CC=C6

InChI

InChI=1S/C27H29N3O2/c31-25(15-27-12-19-8-20(13-27)10-21(9-19)14-27)29-22-6-7-24-23(11-22)26(32)30(17-28-24)16-18-4-2-1-3-5-18/h1-7,11,17,19-21H,8-10,12-16H2,(H,29,31)