2-butyl-5-(4-naphthalen-1-ylcarbonylpiperazin-1-yl)carbonyl-isoindole-1,3-dione

Systemtic Name: 2-butyl-5-(4-naphthalen-1-ylcarbonylpiperazin-1-yl)carbonyl-isoindole-1,3-dione Openeye Name: 2-butyl-5-[4-(naphthalene-1-carbonyl)piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-butyl-5-[[4-[1-naphthalenyl(oxo)methyl]-1-piperazinyl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-butyl-5-[4-(naphthalene-1-carbonyl)piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-butyl-5-[4-(1-naphthoyl)piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H27N3O4/c1-2-3-13-31-27(34)23-12-11-20(18-24(23)28(31)35)25(32)29-14-16-30(17-15-29)26(33)22-10-6-8-19-7-4-5-9-21(19)22/h4-12,18H,2-3,13-17H2,1H3