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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-4-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-(3,4-dimethoxyphenyl)-4-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-4H-isoquinoline-1,3-dione CAS Name: 2-(3,4-dimethoxyphenyl)-4-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-(3,4-dimethoxyphenyl)-4-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-(3,4-dimethoxyphenyl)-4-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-4H-isoquinoline-1,3-quinone Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

C[C@H]1CCCC[C@@H]1N=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H28N2O4/c1-16-8-4-7-11-21(16)26-15-20-18-9-5-6-10-19(18)24(28)27(25(20)29)17-12-13-22(30-2)23(14-17)31-3/h5-6,9-10,12-16,20-21H,4,7-8,11H2,1-3H3/t16-,20?,21-/m0/s1