N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C17H21N3O2 MolecularWeight: 299.36754

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C17H21N3O2/c1-10-6-5-9-14(11(10)2)18-17(22)15-12-7-3-4-8-13(12)16(21)20-19-15/h3-4,7-8,10-11,14H,5-6,9H2,1-2H3,(H,18,22)(H,20,21)/t10-,11+,14+/m0/s1