N-butyl-1-[2-(3,4-dimethoxyphenyl)-1,3-bis(oxidanylidene)isoindol-4-yl]-N-methyl-piperidine-3-carboxamide

Systemtic Name: N-butyl-1-[2-(3,4-dimethoxyphenyl)-1,3-bis(oxidanylidene)isoindol-4-yl]-N-methyl-piperidine-3-carboxamide Openeye Name: N-butyl-1-[2-(3,4-dimethoxyphenyl)-1,3-dioxo-isoindolin-4-yl]-N-methyl-piperidine-3-carboxamide CAS Name: N-butyl-1-[2-(3,4-dimethoxyphenyl)-1,3-dioxo-4-isoindolyl]-N-methyl-3-piperidinecarboxamide IUPAC Name: N-butyl-1-[2-(3,4-dimethoxyphenyl)-1,3-dioxoisoindol-4-yl]-N-methylpiperidine-3-carboxamide Traditional Name: N-butyl-1-[2-(3,4-dimethoxyphenyl)-1,3-diketo-isoindolin-4-yl]-N-methyl-nipecotamide Formula: C27H33N3O5 MolecularWeight: 479.56802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)C1CCCN(C1)C2=CC=CC3=C2C(=O)N(C3=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCCCN(C)C(=O)C1CCCN(C1)C2=CC=CC3=C2C(=O)N(C3=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H33N3O5/c1-5-6-14-28(2)25(31)18-9-8-15-29(17-18)21-11-7-10-20-24(21)27(33)30(26(20)32)19-12-13-22(34-3)23(16-19)35-4/h7,10-13,16,18H,5-6,8-9,14-15,17H2,1-4H3