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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-4-[[(2S)-octan-2-yl]iminomethyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-(3,4-dimethoxyphenyl)-4-[[(1S)-1-methylheptyl]iminomethyl]-4H-isoquinoline-1,3-dione CAS Name: 2-(3,4-dimethoxyphenyl)-4-[[(2S)-octan-2-yl]iminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-(3,4-dimethoxyphenyl)-4-[[(2S)-octan-2-yl]iminomethyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-(3,4-dimethoxyphenyl)-4-[[(1S)-1-methylheptyl]iminomethyl]-4H-isoquinoline-1,3-quinone Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)N=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O4/c1-5-6-7-8-11-18(2)27-17-22-20-12-9-10-13-21(20)25(29)28(26(22)30)19-14-15-23(31-3)24(16-19)32-4/h9-10,12-18,22H,5-8,11H2,1-4H3/t18-,22?/m0/s1