4-[[2-methyl-4-[(2S)-2-oxidanylpyrrolidin-1-yl]quinolin-7-yl]oxymethyl]benzenecarbonitrile

Systemtic Name: 4-[[2-methyl-4-[(2S)-2-oxidanylpyrrolidin-1-yl]quinolin-7-yl]oxymethyl]benzenecarbonitrile Openeye Name: 4-[[4-[(2S)-2-hydroxypyrrolidin-1-yl]-2-methyl-7-quinolyl]oxymethyl]benzonitrile CAS Name: 4-[[4-[(2S)-2-hydroxy-1-pyrrolidinyl]-2-methyl-7-quinolinyl]oxymethyl]benzonitrile IUPAC Name: 4-[[4-[(2S)-2-hydroxypyrrolidin-1-yl]-2-methylquinolin-7-yl]oxymethyl]benzonitrile Traditional Name: 4-[[4-[(2S)-2-hydroxypyrrolidino]-2-methyl-7-quinolyl]oxymethyl]benzonitrile Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)OCC3=CC=C(C=C3)C#N)C(=C1)N4CCCC4O

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)OCC3=CC=C(C=C3)C#N)C(=C1)N4CCC[C@@H]4O

InChI

InChI=1S/C22H21N3O2/c1-15-11-21(25-10-2-3-22(25)26)19-9-8-18(12-20(19)24-15)27-14-17-6-4-16(13-23)5-7-17/h4-9,11-12,22,26H,2-3,10,14H2,1H3/t22-/m0/s1