3-[(1-cyano-2-ethyl-but-1-enyl)-phenyl-amino]-3-ethyl-2-phenylimino-pentanenitrile

Systemtic Name: 3-[(1-cyano-2-ethyl-but-1-enyl)-phenyl-amino]-3-ethyl-2-phenylimino-pentanenitrile Openeye Name: 2-(N-(1-cyano-2-ethyl-but-1-enyl)anilino)-2-ethyl-N-phenyl-butanimidoyl cyanide CAS Name: 3-(N-(1-cyano-2-ethylbut-1-enyl)anilino)-3-ethyl-2-phenyliminopentanenitrile IUPAC Name: 2-(N-(1-cyano-2-ethylbut-1-enyl)anilino)-2-ethyl-N-phenylbutanimidoyl cyanide Traditional Name: 3-(N-(1-cyano-2-ethyl-but-1-enyl)anilino)-3-ethyl-2-phenylimino-valeronitrile Formula: C26H30N4 MolecularWeight: 398.5432

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C#N)N(C1=CC=CC=C1)C(CC)(CC)C(=NC2=CC=CC=C2)C#N)CC

Isomeric SMILES

CCC(=C(C#N)N(C1=CC=CC=C1)C(CC)(CC)C(=NC2=CC=CC=C2)C#N)CC

InChI

InChI=1S/C26H30N4/c1-5-21(6-2)24(19-27)30(23-17-13-10-14-18-23)26(7-3,8-4)25(20-28)29-22-15-11-9-12-16-22/h9-18H,5-8H2,1-4H3