4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-[[(4-fluorophenyl)methylamino]methyl]quinoline-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-[[(4-fluorophenyl)methylamino]methyl]quinoline-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-3-[[(4-fluorophenyl)methylamino]methyl]quinoline-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-[[(4-fluorophenyl)methylamino]methyl]-6-quinolinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-[[(4-fluorophenyl)methylamino]methyl]quinoline-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-3-[[(4-fluorobenzyl)amino]methyl]quinoline-6-carbonitrile Formula: C26H22ClFN4O MolecularWeight: 460.930483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2CNCC4=CC=C(C=C4)F)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2CNCC4=CC=C(C=C4)F)C#N)Cl

InChI

InChI=1S/C26H22ClFN4O/c1-33-25-9-5-19(11-23(25)27)14-32-26-20(15-30-13-17-2-6-21(28)7-3-17)16-31-24-8-4-18(12-29)10-22(24)26/h2-11,16,30H,13-15H2,1H3,(H,31,32)