4-cyano-2-methyl-N-(1-phenylbutyl)-5-pyrrol-1-yl-furan-3-carboxamide

Systemtic Name: 4-cyano-2-methyl-N-(1-phenylbutyl)-5-pyrrol-1-yl-furan-3-carboxamide Openeye Name: 4-cyano-2-methyl-N-(1-phenylbutyl)-5-pyrrol-1-yl-furan-3-carboxamide CAS Name: 4-cyano-2-methyl-N-(1-phenylbutyl)-5-(1-pyrrolyl)-3-furancarboxamide IUPAC Name: 4-cyano-2-methyl-N-(1-phenylbutyl)-5-pyrrol-1-ylfuran-3-carboxamide Traditional Name: 4-cyano-2-methyl-N-(1-phenylbutyl)-5-pyrrol-1-yl-3-furamide Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C2=C(OC(=C2C#N)N3C=CC=C3)C

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)C2=C(OC(=C2C#N)N3C=CC=C3)C

InChI

InChI=1S/C21H21N3O2/c1-3-9-18(16-10-5-4-6-11-16)23-20(25)19-15(2)26-21(17(19)14-22)24-12-7-8-13-24/h4-8,10-13,18H,3,9H2,1-2H3,(H,23,25)