3-methyl-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-methyl-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(1S)-1-(4-isobutylphenyl)ethyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-methyl-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4-oxophthalazine-1-carboxamide Traditional Name: N-[(1S)-1-(4-isobutylphenyl)ethyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)CC(C)C)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C22H25N3O2/c1-14(2)13-16-9-11-17(12-10-16)15(3)23-21(26)20-18-7-5-6-8-19(18)22(27)25(4)24-20/h5-12,14-15H,13H2,1-4H3,(H,23,26)/t15-/m0/s1