N-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(Z)-[2-(1-adamantyl)-1-methyl-ethylidene]amino]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(Z)-[2-(1-adamantyl)-1-methyl-ethylidene]amino]-4-keto-3H-phthalazine-1-carboxamide Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=NNC(=O)C2=CC=CC=C21)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C/C(=N/NC(=O)C1=NNC(=O)C2=CC=CC=C21)/CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H26N4O2/c1-13(9-22-10-14-6-15(11-22)8-16(7-14)12-22)23-26-21(28)19-17-4-2-3-5-18(17)20(27)25-24-19/h2-5,14-16H,6-12H2,1H3,(H,25,27)(H,26,28)/b23-13-