N-(1-adamantyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(1-adamantyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: N-(1-adamantyl)-3-benzyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(1-adamantyl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: N-(1-adamantyl)-3-benzyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(1-adamantyl)-3-benzyl-4-keto-phthalazine-1-carboxamide Formula: C26H27N3O2 MolecularWeight: 413.51148

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=NN(C(=O)C5=CC=CC=C54)CC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=NN(C(=O)C5=CC=CC=C54)CC6=CC=CC=C6

InChI

InChI=1S/C26H27N3O2/c30-24(27-26-13-18-10-19(14-26)12-20(11-18)15-26)23-21-8-4-5-9-22(21)25(31)29(28-23)16-17-6-2-1-3-7-17/h1-9,18-20H,10-16H2,(H,27,30)