2-(3-chlorophenyl)-4-[[1-(dimethylamino)cyclohexyl]methyliminomethyl]-4H-isoquinoline-1,3-dione

Systemtic Name: 2-(3-chlorophenyl)-4-[[1-(dimethylamino)cyclohexyl]methyliminomethyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-(3-chlorophenyl)-4-[[1-(dimethylamino)cyclohexyl]methyliminomethyl]-4H-isoquinoline-1,3-dione CAS Name: 2-(3-chlorophenyl)-4-[[1-(dimethylamino)cyclohexyl]methyliminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-(3-chlorophenyl)-4-[[1-(dimethylamino)cyclohexyl]methyliminomethyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-(3-chlorophenyl)-4-[[1-(dimethylamino)cyclohexyl]methyliminomethyl]-4H-isoquinoline-1,3-quinone Formula: C25H28ClN3O2 MolecularWeight: 437.96172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1(CCCCC1)CN=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CN(C)C1(CCCCC1)CN=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H28ClN3O2/c1-28(2)25(13-6-3-7-14-25)17-27-16-22-20-11-4-5-12-21(20)23(30)29(24(22)31)19-10-8-9-18(26)15-19/h4-5,8-12,15-16,22H,3,6-7,13-14,17H2,1-2H3