3-phenyl-2-(phenylmethyl)-3-(2-piperazin-1-ylethoxy)isoindol-1-one

Systemtic Name: 3-phenyl-2-(phenylmethyl)-3-(2-piperazin-1-ylethoxy)isoindol-1-one Openeye Name: 2-benzyl-3-phenyl-3-(2-piperazin-1-ylethoxy)isoindolin-1-one CAS Name: 3-phenyl-2-(phenylmethyl)-3-[2-(1-piperazinyl)ethoxy]-1-isoindolone IUPAC Name: 2-benzyl-3-phenyl-3-(2-piperazin-1-ylethoxy)isoindol-1-one Traditional Name: 2-benzyl-3-phenyl-3-(2-piperazinoethoxy)isoindolin-1-one Formula: C27H29N3O2 MolecularWeight: 427.53806

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCOC2(C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1)CCOC2(C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H29N3O2/c31-26-24-13-7-8-14-25(24)27(23-11-5-2-6-12-23,30(26)21-22-9-3-1-4-10-22)32-20-19-29-17-15-28-16-18-29/h1-14,28H,15-21H2