N-[(4-chlorophenyl)methyl]-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]adamantane-1-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]adamantane-1-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-N-[(4-oxo-1H-quinazolin-2-yl)methyl]adamantane-1-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-adamantanecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-N-[(4-oxo-1H-quinazolin-2-yl)methyl]adamantane-1-carboxamide Traditional Name: N-(4-chlorobenzyl)-N-[(4-keto-1H-quinazolin-2-yl)methyl]adamantane-1-carboxamide Formula: C27H28ClN3O2 MolecularWeight: 461.98312

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)N(CC4=CC=C(C=C4)Cl)CC5=NC(=O)C6=CC=CC=C6N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)N(CC4=CC=C(C=C4)Cl)CC5=NC(=O)C6=CC=CC=C6N5

InChI

InChI=1S/C27H28ClN3O2/c28-21-7-5-17(6-8-21)15-31(16-24-29-23-4-2-1-3-22(23)25(32)30-24)26(33)27-12-18-9-19(13-27)11-20(10-18)14-27/h1-8,18-20H,9-16H2,(H,29,30,32)