4-[[4-[(2-chloranyl-7-methoxy-quinolin-3-yl)methyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(2-chloranyl-7-methoxy-quinolin-3-yl)methyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(2-chloro-7-methoxy-3-quinolyl)methyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2-chloro-7-methoxy-3-quinolinyl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(2-chloro-7-methoxyquinolin-3-yl)methyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(2-chloro-7-methoxy-3-quinolyl)methyl]piperazino]methyl]benzonitrile Formula: C23H23ClN4O MolecularWeight: 406.90792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)CN3CCN(CC3)CC4=CC=C(C=C4)C#N)Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)CN3CCN(CC3)CC4=CC=C(C=C4)C#N)Cl

InChI

InChI=1S/C23H23ClN4O/c1-29-21-7-6-19-12-20(23(24)26-22(19)13-21)16-28-10-8-27(9-11-28)15-18-4-2-17(14-25)3-5-18/h2-7,12-13H,8-11,15-16H2,1H3