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

Systemtic Name: 4-[[(2S)-butan-2-yl]iminomethyl]-2-(3,4-dimethoxyphenyl)-4H-isoquinoline-1,3-dione Openeye Name: 2-(3,4-dimethoxyphenyl)-4-[[(1S)-1-methylpropyl]iminomethyl]-4H-isoquinoline-1,3-dione CAS Name: 4-[[(2S)-butan-2-yl]iminomethyl]-2-(3,4-dimethoxyphenyl)-4H-isoquinoline-1,3-dione IUPAC Name: 4-[[(2S)-butan-2-yl]iminomethyl]-2-(3,4-dimethoxyphenyl)-4H-isoquinoline-1,3-dione Traditional Name: 2-(3,4-dimethoxyphenyl)-4-[[(1S)-1-methylpropyl]iminomethyl]-4H-isoquinoline-1,3-quinone Formula: C22H24N2O4 MolecularWeight: 380.43696

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4/c1-5-14(2)23-13-18-16-8-6-7-9-17(16)21(25)24(22(18)26)15-10-11-19(27-3)20(12-15)28-4/h6-14,18H,5H2,1-4H3/t14-,18?/m0/s1