2-[[4-[4-chloranyl-2-(2-chlorophenyl)carbonyl-phenyl]-5-[2-(dimethylamino)propyl]-1,2,4-triazol-3-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-[4-chloranyl-2-(2-chlorophenyl)carbonyl-phenyl]-5-[2-(dimethylamino)propyl]-1,2,4-triazol-3-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-[2-(dimethylamino)propyl]-1,2,4-triazol-3-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-[4-chloro-2-[(2-chlorophenyl)-oxomethyl]phenyl]-5-[2-(dimethylamino)propyl]-1,2,4-triazol-3-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-[2-(dimethylamino)propyl]-1,2,4-triazol-3-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-[2-(dimethylamino)propyl]-1,2,4-triazol-3-yl]methyl]isoindoline-1,3-quinone Formula: C29H25Cl2N5O3 MolecularWeight: 562.4465

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NN=C(N1C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl)CN4C(=O)C5=CC=CC=C5C4=O)N(C)C

Isomeric SMILES

CC(CC1=NN=C(N1C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl)CN4C(=O)C5=CC=CC=C5C4=O)N(C)C

InChI

InChI=1S/C29H25Cl2N5O3/c1-17(34(2)3)14-25-32-33-26(16-35-28(38)19-8-4-5-9-20(19)29(35)39)36(25)24-13-12-18(30)15-22(24)27(37)21-10-6-7-11-23(21)31/h4-13,15,17H,14,16H2,1-3H3