(E)-3-[5-(azepan-1-yl)furan-2-yl]-2-cyano-N-(4-methylphenyl)prop-2-enamide

Systemtic Name: (E)-3-[5-(azepan-1-yl)furan-2-yl]-2-cyano-N-(4-methylphenyl)prop-2-enamide Openeye Name: (E)-3-[5-(azepan-1-yl)-2-furyl]-2-cyano-N-(p-tolyl)prop-2-enamide CAS Name: (E)-3-[5-(1-azepanyl)-2-furanyl]-2-cyano-N-(4-methylphenyl)-2-propenamide IUPAC Name: (E)-3-[5-(azepan-1-yl)furan-2-yl]-2-cyano-N-(4-methylphenyl)prop-2-enamide Traditional Name: (E)-3-[5-(azepan-1-yl)-2-furyl]-2-cyano-N-(p-tolyl)acrylamide Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(O2)N3CCCCCC3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(O2)N3CCCCCC3)/C#N

InChI

InChI=1S/C21H23N3O2/c1-16-6-8-18(9-7-16)23-21(25)17(15-22)14-19-10-11-20(26-19)24-12-4-2-3-5-13-24/h6-11,14H,2-5,12-13H2,1H3,(H,23,25)/b17-14+