4-[[4-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(2-chloro-7-methylsulfanyl-3-quinolyl)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[2-chloro-7-(methylthio)-3-quinolinyl]methyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[[2-chloro-7-(methylthio)-3-quinolyl]methyl]-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C24H25ClN4S MolecularWeight: 437.0001

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)CN3CCCN(CC3)CC4=CC=C(C=C4)C#N)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)CN3CCCN(CC3)CC4=CC=C(C=C4)C#N)Cl

InChI

InChI=1S/C24H25ClN4S/c1-30-22-8-7-20-13-21(24(25)27-23(20)14-22)17-29-10-2-9-28(11-12-29)16-19-5-3-18(15-26)4-6-19/h3-8,13-14H,2,9-12,16-17H2,1H3