2-[[1-butyl-4-(4-dimethylaminophenyl)piperidin-3-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[1-butyl-4-(4-dimethylaminophenyl)piperidin-3-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[1-butyl-4-(4-dimethylaminophenyl)-3-piperidyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[1-butyl-4-(4-dimethylaminophenyl)-3-piperidinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[1-butyl-4-(4-dimethylaminophenyl)piperidin-3-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[1-butyl-4-(4-dimethylaminophenyl)-3-piperidyl]methyl]isoindoline-1,3-quinone Formula: C26H33N3O2 MolecularWeight: 419.55912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(C(C1)CN2C(=O)C3=CC=CC=C3C2=O)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CCCCN1CCC(C(C1)CN2C(=O)C3=CC=CC=C3C2=O)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C26H33N3O2/c1-4-5-15-28-16-14-22(19-10-12-21(13-11-19)27(2)3)20(17-28)18-29-25(30)23-8-6-7-9-24(23)26(29)31/h6-13,20,22H,4-5,14-18H2,1-3H3