(4S)-2-(3,4-dimethylphenyl)-4-(2-methylpropyliminomethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-2-(3,4-dimethylphenyl)-4-(2-methylpropyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-2-(3,4-dimethylphenyl)-4-(isobutyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-2-(3,4-dimethylphenyl)-4-(2-methylpropyliminomethyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-2-(3,4-dimethylphenyl)-4-(2-methylpropyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-2-(3,4-dimethylphenyl)-4-(isobutyliminomethyl)-4H-isoquinoline-1,3-quinone Formula: C22H24N2O2 MolecularWeight: 348.43816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(C3=CC=CC=C3C2=O)C=NCC(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)[C@@H](C3=CC=CC=C3C2=O)C=NCC(C)C)C

InChI

InChI=1S/C22H24N2O2/c1-14(2)12-23-13-20-18-7-5-6-8-19(18)21(25)24(22(20)26)17-10-9-15(3)16(4)11-17/h5-11,13-14,20H,12H2,1-4H3/t20-/m1/s1