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

Systemtic Name: 2-[(E)-but-1-enyl]-4-(3-chlorophenyl)-3-oxidanylidene-2-pyrrolidin-1-yl-heptanenitrile Openeye Name: 2-[(E)-but-1-enyl]-4-(3-chlorophenyl)-3-oxo-2-pyrrolidin-1-yl-heptanenitrile CAS Name: 2-[(E)-but-1-enyl]-4-(3-chlorophenyl)-3-oxo-2-(1-pyrrolidinyl)heptanenitrile IUPAC Name: 2-[(E)-but-1-enyl]-4-(3-chlorophenyl)-3-oxo-2-pyrrolidin-1-ylheptanenitrile Traditional Name: (E)-2-[2-(3-chlorophenyl)pentanoyl]-2-pyrrolidino-hex-3-enenitrile Formula: C21H27ClN2O MolecularWeight: 358.90488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O/c1-3-5-12-21(16-23,24-13-6-7-14-24)20(25)19(9-4-2)17-10-8-11-18(22)15-17/h5,8,10-12,15,19H,3-4,6-7,9,13-14H2,1-2H3/b12-5+