4-[butyl-[(3S)-1-methylpyrrolidin-3-yl]amino]-2-chloranyl-benzenecarbonitrile

Systemtic Name: 4-[butyl-[(3S)-1-methylpyrrolidin-3-yl]amino]-2-chloranyl-benzenecarbonitrile Openeye Name: 4-[butyl-[(3S)-1-methylpyrrolidin-3-yl]amino]-2-chloro-benzonitrile CAS Name: 4-[butyl-[(3S)-1-methyl-3-pyrrolidinyl]amino]-2-chlorobenzonitrile IUPAC Name: 4-[butyl-[(3S)-1-methylpyrrolidin-3-yl]amino]-2-chlorobenzonitrile Traditional Name: 4-[butyl-[(3S)-1-methylpyrrolidin-3-yl]amino]-2-chloro-benzonitrile Formula: C16H22ClN3 MolecularWeight: 291.81898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1CCN(C1)C)C2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

CCCCN([C@H]1CCN(C1)C)C2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C16H22ClN3/c1-3-4-8-20(15-7-9-19(2)12-15)14-6-5-13(11-18)16(17)10-14/h5-6,10,15H,3-4,7-9,12H2,1-2H3/t15-/m0/s1