2-[2-[2-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[2-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[2-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[2-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[2-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[2-[(4-chlorophenyl)-phenyl-methyl]piperazino]ethyl]isoindoline-1,3-quinone Formula: C27H26ClN3O2 MolecularWeight: 459.96724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)CCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(C(CN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)CCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H26ClN3O2/c28-21-12-10-20(11-13-21)25(19-6-2-1-3-7-19)24-18-29-14-15-30(24)16-17-31-26(32)22-8-4-5-9-23(22)27(31)33/h1-13,24-25,29H,14-18H2