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

Systemtic Name: 2-[(4-methoxyphenyl)methyl]-4-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[(4-methoxyphenyl)methyl]-4-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[(4-methoxyphenyl)methyl]-4-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[(4-methoxyphenyl)methyl]-4-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-4H-isoquinoline-1,3-dione Traditional Name: 4-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-2-p-anisyl-4H-isoquinoline-1,3-quinone Formula: C25H28N2O3 MolecularWeight: 404.50142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N=CC2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC=C(C=C4)OC

Isomeric SMILES

C[C@H]1CCCC[C@@H]1N=CC2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H28N2O3/c1-17-7-3-6-10-23(17)26-15-22-20-8-4-5-9-21(20)24(28)27(25(22)29)16-18-11-13-19(30-2)14-12-18/h4-5,8-9,11-15,17,22-23H,3,6-7,10,16H2,1-2H3/t17-,22?,23-/m0/s1