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

Systemtic Name: 1-[1,3-bis(oxidanylidene)-2-(thiophen-2-ylmethyl)isoindol-4-yl]-N-methyl-N-(2-pyrazol-1-ylethyl)piperidine-4-carboxamide Openeye Name: 1-[1,3-dioxo-2-(2-thienylmethyl)isoindolin-4-yl]-N-methyl-N-(2-pyrazol-1-ylethyl)piperidine-4-carboxamide CAS Name: 1-[1,3-dioxo-2-(thiophen-2-ylmethyl)-4-isoindolyl]-N-methyl-N-[2-(1-pyrazolyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-[1,3-dioxo-2-(thiophen-2-ylmethyl)isoindol-4-yl]-N-methyl-N-(2-pyrazol-1-ylethyl)piperidine-4-carboxamide Traditional Name: 1-[1,3-diketo-2-(2-thenyl)isoindolin-4-yl]-N-methyl-N-(2-pyrazol-1-ylethyl)isonipecotamide Formula: C25H27N5O3S MolecularWeight: 477.57858

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1C=CC=N1)C(=O)C2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=CS5

Isomeric SMILES

CN(CCN1C=CC=N1)C(=O)C2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=CS5

InChI

InChI=1S/C25H27N5O3S/c1-27(14-15-29-11-4-10-26-29)23(31)18-8-12-28(13-9-18)21-7-2-6-20-22(21)25(33)30(24(20)32)17-19-5-3-16-34-19/h2-7,10-11,16,18H,8-9,12-15,17H2,1H3