3-[5-(azepan-1-yl)furan-2-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: 3-[5-(azepan-1-yl)furan-2-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: 3-[5-(azepan-1-yl)-2-furyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: 3-[5-(1-azepanyl)-2-furanyl]-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: 3-[5-(azepan-1-yl)furan-2-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: 3-[5-(azepan-1-yl)-2-furyl]-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C21H22N4O MolecularWeight: 346.42558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC=C(O3)N4CCCCCC4)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC=C(O3)N4CCCCCC4)C#N

InChI

InChI=1S/C21H22N4O/c1-15-6-8-18-19(12-15)24-21(23-18)16(14-22)13-17-7-9-20(26-17)25-10-4-2-3-5-11-25/h6-9,12-13H,2-5,10-11H2,1H3,(H,23,24)