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

Systemtic Name: N-(1-adamantyl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-(1-adamantyl)-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-(1-adamantyl)-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-(1-adamantyl)-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-(1-adamantyl)-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27N3O2/c1-2-7-25-21(27)18-6-4-3-5-17(18)19(24-25)20(26)23-22-11-14-8-15(12-22)10-16(9-14)13-22/h3-6,14-16H,2,7-13H2,1H3,(H,23,26)