N-(2-cyanoethyl)-3-[[2-(3-methoxypropyl)-3-oxidanylidene-1H-isoindol-1-yl]amino]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: N-(2-cyanoethyl)-3-[[2-(3-methoxypropyl)-3-oxidanylidene-1H-isoindol-1-yl]amino]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: N-(2-cyanoethyl)-3-[[2-(3-methoxypropyl)-3-oxo-isoindolin-1-yl]amino]-N-(3-pyridylmethyl)benzamide CAS Name: N-(2-cyanoethyl)-3-[[2-(3-methoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(3-pyridinylmethyl)benzamide IUPAC Name: N-(2-cyanoethyl)-3-[[2-(3-methoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: N-(2-cyanoethyl)-3-[[3-keto-2-(3-methoxypropyl)isoindolin-1-yl]amino]-N-(3-pyridylmethyl)benzamide Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)N(CCC#N)CC4=CN=CC=C4

Isomeric SMILES

COCCCN1C(C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)N(CCC#N)CC4=CN=CC=C4

InChI

InChI=1S/C28H29N5O3/c1-36-17-7-16-33-26(24-11-2-3-12-25(24)28(33)35)31-23-10-4-9-22(18-23)27(34)32(15-6-13-29)20-21-8-5-14-30-19-21/h2-5,8-12,14,18-19,26,31H,6-7,15-17,20H2,1H3