4-[[2-methyl-4-[(3S)-3-oxidanylpyrrolidin-1-yl]quinolin-7-yl]oxymethyl]benzenecarbonitrile hydrochloride

Systemtic Name: 4-[[2-methyl-4-[(3S)-3-oxidanylpyrrolidin-1-yl]quinolin-7-yl]oxymethyl]benzenecarbonitrile hydrochloride Openeye Name: 4-[[4-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methyl-7-quinolyl]oxymethyl]benzonitrile hydrochloride CAS Name: 4-[[4-[(3S)-3-hydroxy-1-pyrrolidinyl]-2-methyl-7-quinolinyl]oxymethyl]benzonitrile hydrochloride IUPAC Name: 4-[[4-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylquinolin-7-yl]oxymethyl]benzonitrile hydrochloride Traditional Name: 4-[[4-[(3S)-3-hydroxypyrrolidino]-2-methyl-7-quinolyl]oxymethyl]benzonitrile hydrochloride Formula: C22H22ClN3O2 MolecularWeight: 395.88198

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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)N4CCC(C4)O.Cl

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)OCC3=CC=C(C=C3)C#N)C(=C1)N4CC[C@@H](C4)O.Cl

InChI

InChI=1S/C22H21N3O2.ClH/c1-15-10-22(25-9-8-18(26)13-25)20-7-6-19(11-21(20)24-15)27-14-17-4-2-16(12-23)3-5-17;/h2-7,10-11,18,26H,8-9,13-14H2,1H3;1H/t18-;/m0./s1