(E)-3-[4-(azepan-1-yl)phenyl]-2-(2-methylfuran-3-yl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[4-(azepan-1-yl)phenyl]-2-(2-methylfuran-3-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-[4-(azepan-1-yl)phenyl]-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile CAS Name: (E)-3-[4-(1-azepanyl)phenyl]-2-[(2-methyl-3-furanyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-[4-(azepan-1-yl)phenyl]-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-[4-(azepan-1-yl)phenyl]-2-(2-methyl-3-furoyl)acrylonitrile Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)C(=CC2=CC=C(C=C2)N3CCCCCC3)C#N

Isomeric SMILES

CC1=C(C=CO1)C(=O)/C(=C/C2=CC=C(C=C2)N3CCCCCC3)/C#N

InChI

InChI=1S/C21H22N2O2/c1-16-20(10-13-25-16)21(24)18(15-22)14-17-6-8-19(9-7-17)23-11-4-2-3-5-12-23/h6-10,13-14H,2-5,11-12H2,1H3/b18-14+