2-butyl-5-[4-(quinolin-8-ylmethyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione

Systemtic Name: 2-butyl-5-[4-(quinolin-8-ylmethyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-butyl-5-[4-(8-quinolylmethyl)piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-butyl-5-[oxo-[4-(8-quinolinylmethyl)-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-butyl-5-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-butyl-5-[4-(8-quinolylmethyl)piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C27H28N4O3/c1-2-3-12-31-26(33)22-10-9-20(17-23(22)27(31)34)25(32)30-15-13-29(14-16-30)18-21-7-4-6-19-8-5-11-28-24(19)21/h4-11,17H,2-3,12-16,18H2,1H3