N-(2-adamantylideneamino)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(2-adamantylideneamino)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: N-(2-adamantylideneamino)-3-benzyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(2-adamantylideneamino)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: N-(2-adamantylideneamino)-3-benzyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(2-adamantylideneamino)-3-benzyl-4-keto-phthalazine-1-carboxamide Formula: C26H26N4O2 MolecularWeight: 426.51024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O2/c31-25(28-27-23-19-11-17-10-18(13-19)14-20(23)12-17)24-21-8-4-5-9-22(21)26(32)30(29-24)15-16-6-2-1-3-7-16/h1-9,17-20H,10-15H2,(H,28,31)