2-phenethyl-5-(4-phenylpiperazin-1-yl)carbonyl-isoindole-1,3-dione

Systemtic Name: 2-phenethyl-5-(4-phenylpiperazin-1-yl)carbonyl-isoindole-1,3-dione Openeye Name: 2-phenethyl-5-(4-phenylpiperazine-1-carbonyl)isoindoline-1,3-dione CAS Name: 5-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-phenethylisoindole-1,3-dione IUPAC Name: 2-phenethyl-5-(4-phenylpiperazine-1-carbonyl)isoindole-1,3-dione Traditional Name: 2-phenethyl-5-(4-phenylpiperazine-1-carbonyl)isoindoline-1,3-quinone Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O3/c31-25(29-17-15-28(16-18-29)22-9-5-2-6-10-22)21-11-12-23-24(19-21)27(33)30(26(23)32)14-13-20-7-3-1-4-8-20/h1-12,19H,13-18H2