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

Systemtic Name: 4-[1-(3-azanylpyrrolidin-1-yl)hexyl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[1-(3-aminopyrrolidin-1-yl)hexyl]-2-methyl-benzonitrile CAS Name: 4-[1-(3-amino-1-pyrrolidinyl)hexyl]-2-methylbenzonitrile IUPAC Name: 4-[1-(3-aminopyrrolidin-1-yl)hexyl]-2-methylbenzonitrile Traditional Name: 4-[1-(3-aminopyrrolidino)hexyl]-2-methyl-benzonitrile Formula: C18H27N3 MolecularWeight: 285.42708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3/c1-3-4-5-6-18(21-10-9-17(20)13-21)15-7-8-16(12-19)14(2)11-15/h7-8,11,17-18H,3-6,9-10,13,20H2,1-2H3