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

Systemtic Name: 1-[1,3-bis(oxidanylidene)-2-(pyridin-3-ylmethyl)isoindol-4-yl]-N-(2-diethylaminoethyl)-N-methyl-piperidine-4-carboxamide Openeye Name: N-(2-diethylaminoethyl)-1-[1,3-dioxo-2-(3-pyridylmethyl)isoindolin-4-yl]-N-methyl-piperidine-4-carboxamide CAS Name: N-(2-diethylaminoethyl)-1-[1,3-dioxo-2-(3-pyridinylmethyl)-4-isoindolyl]-N-methyl-4-piperidinecarboxamide IUPAC Name: N-(2-diethylaminoethyl)-1-[1,3-dioxo-2-(pyridin-3-ylmethyl)isoindol-4-yl]-N-methylpiperidine-4-carboxamide Traditional Name: N-(2-diethylaminoethyl)-1-[1,3-diketo-2-(3-pyridylmethyl)isoindolin-4-yl]-N-methyl-isonipecotamide Formula: C27H35N5O3 MolecularWeight: 477.5985

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C)C(=O)C1CCN(CC1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=CN=CC=C4

Isomeric SMILES

CCN(CC)CCN(C)C(=O)C1CCN(CC1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=CN=CC=C4

InChI

InChI=1S/C27H35N5O3/c1-4-30(5-2)17-16-29(3)25(33)21-11-14-31(15-12-21)23-10-6-9-22-24(23)27(35)32(26(22)34)19-20-8-7-13-28-18-20/h6-10,13,18,21H,4-5,11-12,14-17,19H2,1-3H3