2-[4-[5-chloranyl-2-[(diphenylmethyl)amino]phenyl]but-3-ynyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[5-chloranyl-2-[(diphenylmethyl)amino]phenyl]but-3-ynyl]isoindole-1,3-dione Openeye Name: 2-[4-[2-(benzhydrylamino)-5-chloro-phenyl]but-3-ynyl]isoindoline-1,3-dione CAS Name: 2-[4-[5-chloro-2-[(diphenylmethyl)amino]phenyl]but-3-ynyl]isoindole-1,3-dione IUPAC Name: 2-[4-[2-(benzhydrylamino)-5-chlorophenyl]but-3-ynyl]isoindole-1,3-dione Traditional Name: 2-[4-[2-(benzhydrylamino)-5-chloro-phenyl]but-3-ynyl]isoindoline-1,3-quinone Formula: C31H23ClN2O2 MolecularWeight: 490.97952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC3=C(C=C(C=C3)Cl)C#CCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC3=C(C=C(C=C3)Cl)C#CCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C31H23ClN2O2/c32-25-18-19-28(33-29(22-11-3-1-4-12-22)23-13-5-2-6-14-23)24(21-25)15-9-10-20-34-30(35)26-16-7-8-17-27(26)31(34)36/h1-8,11-14,16-19,21,29,33H,10,20H2