1-[1,3-bis(oxidanylidene)-2-(quinolin-3-ylmethyl)isoindol-4-yl]-N-methyl-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide

Systemtic Name: 1-[1,3-bis(oxidanylidene)-2-(quinolin-3-ylmethyl)isoindol-4-yl]-N-methyl-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide Openeye Name: 1-[1,3-dioxo-2-(3-quinolylmethyl)isoindolin-4-yl]-N-methyl-N-[1-(2-thienyl)ethyl]piperidine-4-carboxamide CAS Name: 1-[1,3-dioxo-2-(3-quinolinylmethyl)-4-isoindolyl]-N-methyl-N-(1-thiophen-2-ylethyl)-4-piperidinecarboxamide IUPAC Name: 1-[1,3-dioxo-2-(quinolin-3-ylmethyl)isoindol-4-yl]-N-methyl-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide Traditional Name: 1-[1,3-diketo-2-(3-quinolylmethyl)isoindolin-4-yl]-N-methyl-N-[1-(2-thienyl)ethyl]isonipecotamide Formula: C31H30N4O3S MolecularWeight: 538.6599

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)N(C)C(=O)C2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC6=CC=CC=C6N=C5

Isomeric SMILES

CC(C1=CC=CS1)N(C)C(=O)C2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC6=CC=CC=C6N=C5

InChI

InChI=1S/C31H30N4O3S/c1-20(27-11-6-16-39-27)33(2)29(36)22-12-14-34(15-13-22)26-10-5-8-24-28(26)31(38)35(30(24)37)19-21-17-23-7-3-4-9-25(23)32-18-21/h3-11,16-18,20,22H,12-15,19H2,1-2H3