3-[4-[2-[(3R)-3-oxidanylpyrrolidin-1-yl]ethylamino]cyclohexyl]benzenecarbonitrile

Systemtic Name: 3-[4-[2-[(3R)-3-oxidanylpyrrolidin-1-yl]ethylamino]cyclohexyl]benzenecarbonitrile Openeye Name: 3-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethylamino]cyclohexyl]benzonitrile CAS Name: 3-[4-[2-[(3R)-3-hydroxy-1-pyrrolidinyl]ethylamino]cyclohexyl]benzonitrile IUPAC Name: 3-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethylamino]cyclohexyl]benzonitrile Traditional Name: 3-[4-[2-[(3R)-3-hydroxypyrrolidino]ethylamino]cyclohexyl]benzonitrile Formula: C19H27N3O MolecularWeight: 313.43718

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=CC(=C2)C#N)NCCN3CCC(C3)O

Isomeric SMILES

C1CN(C[C@@H]1O)CCNC2CCC(CC2)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H27N3O/c20-13-15-2-1-3-17(12-15)16-4-6-18(7-5-16)21-9-11-22-10-8-19(23)14-22/h1-3,12,16,18-19,21,23H,4-11,14H2/t16?,18?,19-/m1/s1