3-[azepan-4-yl-(2-methylquinolin-7-yl)oxy-methyl]benzenecarbonitrile hydrochloride

Systemtic Name: 3-[azepan-4-yl-(2-methylquinolin-7-yl)oxy-methyl]benzenecarbonitrile hydrochloride Openeye Name: 3-[azepan-4-yl-[(2-methyl-7-quinolyl)oxy]methyl]benzonitrile hydrochloride CAS Name: 3-[4-azepanyl-[(2-methyl-7-quinolinyl)oxy]methyl]benzonitrile hydrochloride IUPAC Name: 3-[azepan-4-yl-(2-methylquinolin-7-yl)oxymethyl]benzonitrile hydrochloride Traditional Name: 3-[azepan-4-yl-[(2-methyl-7-quinolyl)oxy]methyl]benzonitrile hydrochloride Formula: C24H26ClN3O MolecularWeight: 407.93574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=CC(=C2)OC(C3CCCNCC3)C4=CC=CC(=C4)C#N.Cl

Isomeric SMILES

CC1=NC2=C(C=C1)C=CC(=C2)OC(C3CCCNCC3)C4=CC=CC(=C4)C#N.Cl

InChI

InChI=1S/C24H25N3O.ClH/c1-17-7-8-19-9-10-22(15-23(19)27-17)28-24(20-6-3-12-26-13-11-20)21-5-2-4-18(14-21)16-25;/h2,4-5,7-10,14-15,20,24,26H,3,6,11-13H2,1H3;1H