N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]adamantane-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]adamantane-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-oxo-1H-quinazolin-2-yl)methyl]adamantane-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-adamantanecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-oxo-1H-quinazolin-2-yl)methyl]adamantane-1-carboxamide Traditional Name: N-[(4-keto-1H-quinazolin-2-yl)methyl]-N-piperonyl-adamantane-1-carboxamide Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)N(CC4=CC5=C(C=C4)OCO5)CC6=NC(=O)C7=CC=CC=C7N6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)N(CC4=CC5=C(C=C4)OCO5)CC6=NC(=O)C7=CC=CC=C7N6

InChI

InChI=1S/C28H29N3O4/c32-26-21-3-1-2-4-22(21)29-25(30-26)15-31(14-17-5-6-23-24(10-17)35-16-34-23)27(33)28-11-18-7-19(12-28)9-20(8-18)13-28/h1-6,10,18-20H,7-9,11-16H2,(H,29,30,32)