2-[[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-7-ethyl-indol-3-yl]methylidene]propanedinitrile

Systemtic Name: 2-[[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-7-ethyl-indol-3-yl]methylidene]propanedinitrile Openeye Name: 2-[[1-[2-(azepan-1-yl)-2-oxo-ethyl]-7-ethyl-indol-3-yl]methylene]propanedinitrile CAS Name: 2-[[1-[2-(1-azepanyl)-2-oxoethyl]-7-ethyl-3-indolyl]methylidene]propanedinitrile IUPAC Name: 2-[[1-[2-(azepan-1-yl)-2-oxoethyl]-7-ethylindol-3-yl]methylidene]propanedinitrile Traditional Name: 2-[[1-[2-(azepan-1-yl)-2-keto-ethyl]-7-ethyl-indol-3-yl]methylene]malononitrile Formula: C22H24N4O MolecularWeight: 360.45216

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1N(C=C2C=C(C#N)C#N)CC(=O)N3CCCCCC3

Isomeric SMILES

CCC1=CC=CC2=C1N(C=C2C=C(C#N)C#N)CC(=O)N3CCCCCC3

InChI

InChI=1S/C22H24N4O/c1-2-18-8-7-9-20-19(12-17(13-23)14-24)15-26(22(18)20)16-21(27)25-10-5-3-4-6-11-25/h7-9,12,15H,2-6,10-11,16H2,1H3