N-[1-(1-adamantyl)propyl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide

Systemtic Name: N-[1-(1-adamantyl)propyl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: N-[1-(1-adamantyl)propyl]-3-isopropyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[1-(1-adamantyl)propyl]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-[1-(1-adamantyl)propyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: N-[1-(1-adamantyl)propyl]-3-isopropyl-4-keto-phthalazine-1-carboxamide Formula: C25H33N3O2 MolecularWeight: 407.54842

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=NN(C(=O)C5=CC=CC=C54)C(C)C

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=NN(C(=O)C5=CC=CC=C54)C(C)C

InChI

InChI=1S/C25H33N3O2/c1-4-21(25-12-16-9-17(13-25)11-18(10-16)14-25)26-23(29)22-19-7-5-6-8-20(19)24(30)28(27-22)15(2)3/h5-8,15-18,21H,4,9-14H2,1-3H3,(H,26,29)