N-[(2R)-2-(1-adamantyloxy)propyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(2R)-2-(1-adamantyloxy)propyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(2R)-2-(1-adamantyloxy)propyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(2R)-2-(1-adamantyloxy)propyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(2R)-2-(1-adamantyloxy)propyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(2R)-2-(1-adamantyloxy)propyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=NNC(=O)C2=CC=CC=C21)OC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@H](CNC(=O)C1=NNC(=O)C2=CC=CC=C21)OC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27N3O3/c1-13(28-22-9-14-6-15(10-22)8-16(7-14)11-22)12-23-21(27)19-17-4-2-3-5-18(17)20(26)25-24-19/h2-5,13-16H,6-12H2,1H3,(H,23,27)(H,25,26)/t13-,14?,15?,16?,22?/m1/s1