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

Systemtic Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C23H25N3O2 MolecularWeight: 375.4635

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2/c1-15-9-8-14-20(16(15)2)24-22(27)21-18-12-6-7-13-19(18)23(28)26(25-21)17-10-4-3-5-11-17/h3-7,10-13,15-16,20H,8-9,14H2,1-2H3,(H,24,27)/t15-,16+,20-/m0/s1