N-[(2S)-6-methylheptan-2-yl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[(2S)-6-methylheptan-2-yl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[(1S)-1,5-dimethylhexyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[(2S)-6-methylheptan-2-yl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[(2S)-6-methylheptan-2-yl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-[(1S)-1,5-dimethylhexyl]-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](CCCC(C)C)NC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C23H27N3O2/c1-16(2)10-9-11-17(3)24-22(27)21-19-14-7-8-15-20(19)23(28)26(25-21)18-12-5-4-6-13-18/h4-8,12-17H,9-11H2,1-3H3,(H,24,27)/t17-/m0/s1