N-(6-azanylhexyl)-N-[1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]adamantane-1-carboxamide

Systemtic Name: N-(6-azanylhexyl)-N-[1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]adamantane-1-carboxamide Openeye Name: N-(6-aminohexyl)-N-[1-(4-oxo-1H-quinazolin-2-yl)ethyl]adamantane-1-carboxamide CAS Name: N-(6-aminohexyl)-N-[1-(4-oxo-1H-quinazolin-2-yl)ethyl]-1-adamantanecarboxamide IUPAC Name: N-(6-aminohexyl)-N-[1-(4-oxo-1H-quinazolin-2-yl)ethyl]adamantane-1-carboxamide Traditional Name: N-(6-aminohexyl)-N-[1-(4-keto-1H-quinazolin-2-yl)ethyl]adamantane-1-carboxamide Formula: C27H38N4O2 MolecularWeight: 450.61622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)N(CCCCCCN)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)N(CCCCCCN)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H38N4O2/c1-18(24-29-23-9-5-4-8-22(23)25(32)30-24)31(11-7-3-2-6-10-28)26(33)27-15-19-12-20(16-27)14-21(13-19)17-27/h4-5,8-9,18-21H,2-3,6-7,10-17,28H2,1H3,(H,29,30,32)