7-[2-[(E)-4-(3-chlorophenyl)-1-oxidanyl-but-1-enyl]-5-oxidanylidene-pyrrolidin-1-yl]heptanenitrile

Systemtic Name: 7-[2-[(E)-4-(3-chlorophenyl)-1-oxidanyl-but-1-enyl]-5-oxidanylidene-pyrrolidin-1-yl]heptanenitrile Openeye Name: 7-[2-[(E)-4-(3-chlorophenyl)-1-hydroxy-but-1-enyl]-5-oxo-pyrrolidin-1-yl]heptanenitrile CAS Name: 7-[2-[(E)-4-(3-chlorophenyl)-1-hydroxybut-1-enyl]-5-oxo-1-pyrrolidinyl]heptanenitrile IUPAC Name: 7-[2-[(E)-4-(3-chlorophenyl)-1-hydroxybut-1-enyl]-5-oxopyrrolidin-1-yl]heptanenitrile Traditional Name: 7-[2-[(E)-4-(3-chlorophenyl)-1-hydroxy-but-1-enyl]-5-keto-pyrrolidino]enanthonitrile Formula: C21H27ClN2O2 MolecularWeight: 374.90428

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1C(=CCCC2=CC(=CC=C2)Cl)O)CCCCCCC#N

Isomeric SMILES

C1CC(=O)N(C1/C(=C\CCC2=CC(=CC=C2)Cl)/O)CCCCCCC#N

InChI

InChI=1S/C21H27ClN2O2/c22-18-10-6-8-17(16-18)9-7-11-20(25)19-12-13-21(26)24(19)15-5-3-1-2-4-14-23/h6,8,10-11,16,19,25H,1-5,7,9,12-13,15H2/b20-11+