2-[[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]indol-3-yl]methylidene]propanedinitrile

Systemtic Name: 2-[[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]indol-3-yl]methylidene]propanedinitrile Openeye Name: 2-[[1-[2-(azepan-1-yl)-2-oxo-ethyl]indol-3-yl]methylene]propanedinitrile CAS Name: 2-[[1-[2-(1-azepanyl)-2-oxoethyl]-3-indolyl]methylidene]propanedinitrile IUPAC Name: 2-[[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]methylidene]propanedinitrile Traditional Name: 2-[[1-[2-(azepan-1-yl)-2-keto-ethyl]indol-3-yl]methylene]malononitrile Formula: C20H20N4O MolecularWeight: 332.399

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)C=C(C#N)C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)C=C(C#N)C#N

InChI

InChI=1S/C20H20N4O/c21-12-16(13-22)11-17-14-24(19-8-4-3-7-18(17)19)15-20(25)23-9-5-1-2-6-10-23/h3-4,7-8,11,14H,1-2,5-6,9-10,15H2