2-(1,3-benzodioxol-5-ylmethyl)-4-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-4H-isoquinoline-1,3-dione

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-4H-isoquinoline-1,3-dione CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-4H-isoquinoline-1,3-dione Traditional Name: 4-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-2-piperonyl-4H-isoquinoline-1,3-quinone Formula: C25H26N2O4 MolecularWeight: 418.48494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N=CC2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C[C@H]1CCCC[C@@H]1N=CC2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H26N2O4/c1-16-6-2-5-9-21(16)26-13-20-18-7-3-4-8-19(18)24(28)27(25(20)29)14-17-10-11-22-23(12-17)31-15-30-22/h3-4,7-8,10-13,16,20-21H,2,5-6,9,14-15H2,1H3/t16-,20?,21-/m0/s1