2-[4-[4-[butyl(heptan-2-yl)amino]phenyl]-3-cyano-5-oxidanylidene-pyrrol-2-ylidene]propanedinitrile

Systemtic Name: 2-[4-[4-[butyl(heptan-2-yl)amino]phenyl]-3-cyano-5-oxidanylidene-pyrrol-2-ylidene]propanedinitrile Openeye Name: 2-[4-[4-[butyl(1-methylhexyl)amino]phenyl]-3-cyano-5-oxo-pyrrol-2-ylidene]propanedinitrile CAS Name: 2-[4-[4-[butyl(heptan-2-yl)amino]phenyl]-3-cyano-5-oxo-2-pyrrolylidene]propanedinitrile IUPAC Name: 2-[4-[4-[butyl(heptan-2-yl)amino]phenyl]-3-cyano-5-oxopyrrol-2-ylidene]propanedinitrile Traditional Name: 2-[4-[4-[butyl(1-methylhexyl)amino]phenyl]-3-cyano-5-keto-3-pyrrolin-2-ylidene]malononitrile Formula: C25H29N5O MolecularWeight: 415.53066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)N(CCCC)C1=CC=C(C=C1)C2=C(C(=C(C#N)C#N)NC2=O)C#N

Isomeric SMILES

CCCCCC(C)N(CCCC)C1=CC=C(C=C1)C2=C(C(=C(C#N)C#N)NC2=O)C#N

InChI

InChI=1S/C25H29N5O/c1-4-6-8-9-18(3)30(14-7-5-2)21-12-10-19(11-13-21)23-22(17-28)24(29-25(23)31)20(15-26)16-27/h10-13,18H,4-9,14H2,1-3H3,(H,29,31)