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

Systemtic Name: 1-[1,3-bis(oxidanylidene)-2-(pyridin-3-ylmethyl)isoindol-4-yl]-N-butyl-N-methyl-piperidine-3-carboxamide Openeye Name: N-butyl-1-[1,3-dioxo-2-(3-pyridylmethyl)isoindolin-4-yl]-N-methyl-piperidine-3-carboxamide CAS Name: N-butyl-1-[1,3-dioxo-2-(3-pyridinylmethyl)-4-isoindolyl]-N-methyl-3-piperidinecarboxamide IUPAC Name: N-butyl-1-[1,3-dioxo-2-(pyridin-3-ylmethyl)isoindol-4-yl]-N-methylpiperidine-3-carboxamide Traditional Name: N-butyl-1-[1,3-diketo-2-(3-pyridylmethyl)isoindolin-4-yl]-N-methyl-nipecotamide Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)C1CCCN(C1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=CN=CC=C4

Isomeric SMILES

CCCCN(C)C(=O)C1CCCN(C1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=CN=CC=C4

InChI

InChI=1S/C25H30N4O3/c1-3-4-13-27(2)23(30)19-9-7-14-28(17-19)21-11-5-10-20-22(21)25(32)29(24(20)31)16-18-8-6-12-26-15-18/h5-6,8,10-12,15,19H,3-4,7,9,13-14,16-17H2,1-2H3