3-[4-(5-cyano-1H-indol-3-yl)butylamino]-N-[2-(hydroxymethyl)-1-benzofuran-5-yl]propanamide

Systemtic Name: 3-[4-(5-cyano-1H-indol-3-yl)butylamino]-N-[2-(hydroxymethyl)-1-benzofuran-5-yl]propanamide Openeye Name: 3-[4-(5-cyano-1H-indol-3-yl)butylamino]-N-[2-(hydroxymethyl)benzofuran-5-yl]propanamide CAS Name: 3-[4-(5-cyano-1H-indol-3-yl)butylamino]-N-[2-(hydroxymethyl)-5-benzofuranyl]propanamide IUPAC Name: 3-[4-(5-cyano-1H-indol-3-yl)butylamino]-N-[2-(hydroxymethyl)-1-benzofuran-5-yl]propanamide Traditional Name: 3-[4-(5-cyano-1H-indol-3-yl)butylamino]-N-(2-methylolbenzofuran-5-yl)propionamide Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C#N)C(=CN2)CCCCNCCC(=O)NC3=CC4=C(C=C3)OC(=C4)CO

Isomeric SMILES

C1=CC2=C(C=C1C#N)C(=CN2)CCCCNCCC(=O)NC3=CC4=C(C=C3)OC(=C4)CO

InChI

InChI=1S/C25H26N4O3/c26-14-17-4-6-23-22(11-17)18(15-28-23)3-1-2-9-27-10-8-25(31)29-20-5-7-24-19(12-20)13-21(16-30)32-24/h4-7,11-13,15,27-28,30H,1-3,8-10,16H2,(H,29,31)