2-[[4-[4-chloranyl-2-(phenylcarbonyl)phenyl]-5-(diethylaminomethyl)-1,2,4-triazol-3-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-[4-chloranyl-2-(phenylcarbonyl)phenyl]-5-(diethylaminomethyl)-1,2,4-triazol-3-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(2-benzoyl-4-chloro-phenyl)-5-(diethylaminomethyl)-1,2,4-triazol-3-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(2-benzoyl-4-chlorophenyl)-5-(diethylaminomethyl)-1,2,4-triazol-3-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(2-benzoyl-4-chlorophenyl)-5-(diethylaminomethyl)-1,2,4-triazol-3-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-(2-benzoyl-4-chloro-phenyl)-5-(diethylaminomethyl)-1,2,4-triazol-3-yl]methyl]isoindoline-1,3-quinone Formula: C29H26ClN5O3 MolecularWeight: 528.00144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H26ClN5O3/c1-3-33(4-2)17-25-31-32-26(18-34-28(37)21-12-8-9-13-22(21)29(34)38)35(25)24-15-14-20(30)16-23(24)27(36)19-10-6-5-7-11-19/h5-16H,3-4,17-18H2,1-2H3