2-[(E)-but-1-enyl]-4-(3-chlorophenyl)-3,5-bis(oxidanylidene)-2-pyrrolidin-1-yl-heptanenitrile

Systemtic Name: 2-[(E)-but-1-enyl]-4-(3-chlorophenyl)-3,5-bis(oxidanylidene)-2-pyrrolidin-1-yl-heptanenitrile Openeye Name: 2-[(E)-but-1-enyl]-4-(3-chlorophenyl)-3,5-dioxo-2-pyrrolidin-1-yl-heptanenitrile CAS Name: 2-[(E)-but-1-enyl]-4-(3-chlorophenyl)-3,5-dioxo-2-(1-pyrrolidinyl)heptanenitrile IUPAC Name: 2-[(E)-but-1-enyl]-4-(3-chlorophenyl)-3,5-dioxo-2-pyrrolidin-1-ylheptanenitrile Traditional Name: (E)-2-[2-(3-chlorophenyl)-3-keto-pentanoyl]-2-pyrrolidino-hex-3-enenitrile Formula: C21H25ClN2O2 MolecularWeight: 372.8884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC=CC(C#N)(C(=O)C(C1=CC(=CC=C1)Cl)C(=O)CC)N2CCCC2

Isomeric SMILES

CC/C=C/C(C#N)(C(=O)C(C1=CC(=CC=C1)Cl)C(=O)CC)N2CCCC2

InChI

InChI=1S/C21H25ClN2O2/c1-3-5-11-21(15-23,24-12-6-7-13-24)20(26)19(18(25)4-2)16-9-8-10-17(22)14-16/h5,8-11,14,19H,3-4,6-7,12-13H2,1-2H3/b11-5+