4-[[2-methyl-4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]quinolin-7-yl]oxymethyl]benzenecarbonitrile hydrochloride

Systemtic Name: 4-[[2-methyl-4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]quinolin-7-yl]oxymethyl]benzenecarbonitrile hydrochloride Openeye Name: 4-[[2-methyl-4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-7-quinolyl]oxymethyl]benzonitrile hydrochloride CAS Name: 4-[[2-methyl-4-[2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]-7-quinolinyl]oxymethyl]benzonitrile hydrochloride IUPAC Name: 4-[[2-methyl-4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]quinolin-7-yl]oxymethyl]benzonitrile hydrochloride Traditional Name: 4-[[2-methyl-4-[2-(pyrrolidinomethyl)pyrrolidino]-7-quinolyl]oxymethyl]benzonitrile hydrochloride Formula: C27H31ClN4O MolecularWeight: 463.01424

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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)N4CCCC4CN5CCCC5.Cl

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)OCC3=CC=C(C=C3)C#N)C(=C1)N4CCCC4CN5CCCC5.Cl

InChI

InChI=1S/C27H30N4O.ClH/c1-20-15-27(31-14-4-5-23(31)18-30-12-2-3-13-30)25-11-10-24(16-26(25)29-20)32-19-22-8-6-21(17-28)7-9-22;/h6-11,15-16,23H,2-5,12-14,18-19H2,1H3;1H