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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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