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

Systemtic Name: 4-[[4-[(2-chloranyl-7-methyl-quinolin-3-yl)methyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(2-chloro-7-methyl-3-quinolyl)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2-chloro-7-methyl-3-quinolinyl)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-[(2-chloro-7-methylquinolin-3-yl)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(2-chloro-7-methyl-3-quinolyl)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C24H25ClN4 MolecularWeight: 404.9351

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)CN3CCCN(CC3)CC4=CC=C(C=C4)C#N)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)CN3CCCN(CC3)CC4=CC=C(C=C4)C#N)Cl

InChI

InChI=1S/C24H25ClN4/c1-18-3-8-21-14-22(24(25)27-23(21)13-18)17-29-10-2-9-28(11-12-29)16-20-6-4-19(15-26)5-7-20/h3-8,13-14H,2,9-12,16-17H2,1H3