4-[1-[3-(2-cyanoethylamino)pyrrolidin-1-yl]hexyl]-2-methyl-benzenecarbonitrile

Systemtic Name: 4-[1-[3-(2-cyanoethylamino)pyrrolidin-1-yl]hexyl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[1-[3-(2-cyanoethylamino)pyrrolidin-1-yl]hexyl]-2-methyl-benzonitrile CAS Name: 4-[1-[3-(2-cyanoethylamino)-1-pyrrolidinyl]hexyl]-2-methylbenzonitrile IUPAC Name: 4-[1-[3-(2-cyanoethylamino)pyrrolidin-1-yl]hexyl]-2-methylbenzonitrile Traditional Name: 4-[1-[3-(2-cyanoethylamino)pyrrolidino]hexyl]-2-methyl-benzonitrile Formula: C21H30N4 MolecularWeight: 338.4897

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCC(C2)NCCC#N

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCC(C2)NCCC#N

InChI

InChI=1S/C21H30N4/c1-3-4-5-7-21(18-8-9-19(15-23)17(2)14-18)25-13-10-20(16-25)24-12-6-11-22/h8-9,14,20-21,24H,3-7,10,12-13,16H2,1-2H3