4-[[(2S)-butan-2-yl]iminomethyl]-2-(3,4-dimethylphenyl)-4H-isoquinoline-1,3-dione

Systemtic Name: 4-[[(2S)-butan-2-yl]iminomethyl]-2-(3,4-dimethylphenyl)-4H-isoquinoline-1,3-dione Openeye Name: 2-(3,4-dimethylphenyl)-4-[[(1S)-1-methylpropyl]iminomethyl]-4H-isoquinoline-1,3-dione CAS Name: 4-[[(2S)-butan-2-yl]iminomethyl]-2-(3,4-dimethylphenyl)-4H-isoquinoline-1,3-dione IUPAC Name: 4-[[(2S)-butan-2-yl]iminomethyl]-2-(3,4-dimethylphenyl)-4H-isoquinoline-1,3-dione Traditional Name: 2-(3,4-dimethylphenyl)-4-[[(1S)-1-methylpropyl]iminomethyl]-4H-isoquinoline-1,3-quinone Formula: C22H24N2O2 MolecularWeight: 348.43816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CC[C@H](C)N=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C22H24N2O2/c1-5-16(4)23-13-20-18-8-6-7-9-19(18)21(25)24(22(20)26)17-11-10-14(2)15(3)12-17/h6-13,16,20H,5H2,1-4H3/t16-,20?/m0/s1