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

Systemtic Name: (E)-3-[4-(azepan-1-yl)phenyl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-yl)phenyl]-2-cyano-N-(2-furylmethyl)prop-2-enamide CAS Name: (E)-3-[4-(1-azepanyl)phenyl]-2-cyano-N-(2-furanylmethyl)-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-yl)phenyl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-yl)phenyl]-2-cyano-N-(2-furfuryl)acrylamide Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)C=C(C#N)C(=O)NCC3=CC=CO3

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)/C=C(\C#N)/C(=O)NCC3=CC=CO3

InChI

InChI=1S/C21H23N3O2/c22-15-18(21(25)23-16-20-6-5-13-26-20)14-17-7-9-19(10-8-17)24-11-3-1-2-4-12-24/h5-10,13-14H,1-4,11-12,16H2,(H,23,25)/b18-14+