(Z)-3-[4-(azepan-1-yl)phenyl]-2-isocyano-prop-2-enenitrile

Systemtic Name: (Z)-3-[4-(azepan-1-yl)phenyl]-2-isocyano-prop-2-enenitrile Openeye Name: (Z)-3-[4-(azepan-1-yl)phenyl]-2-isocyano-prop-2-enenitrile CAS Name: (Z)-3-[4-(1-azepanyl)phenyl]-2-isocyano-2-propenenitrile IUPAC Name: (Z)-3-[4-(azepan-1-yl)phenyl]-2-isocyanoprop-2-enenitrile Traditional Name: (Z)-3-[4-(azepan-1-yl)phenyl]-2-isocyano-acrylonitrile Formula: C16H17N3 MolecularWeight: 251.32628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C(=CC1=CC=C(C=C1)N2CCCCCC2)C#N

Isomeric SMILES

[C-]#[N+]/C(=C\C1=CC=C(C=C1)N2CCCCCC2)/C#N

InChI

InChI=1S/C16H17N3/c1-18-15(13-17)12-14-6-8-16(9-7-14)19-10-4-2-3-5-11-19/h6-9,12H,2-5,10-11H2/b15-12-