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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-[[(phenylmethyl)amino]methyl]quinoline-6-carbonitrile Openeye Name: 3-[(benzylamino)methyl]-4-[(3-chloro-4-methoxy-phenyl)methylamino]quinoline-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-[[(phenylmethyl)amino]methyl]-6-quinolinecarbonitrile IUPAC Name: 3-[(benzylamino)methyl]-4-[(3-chloro-4-methoxyphenyl)methylamino]quinoline-6-carbonitrile Traditional Name: 3-[(benzylamino)methyl]-4-[(3-chloro-4-methoxy-benzyl)amino]quinoline-6-carbonitrile Formula: C26H23ClN4O MolecularWeight: 442.94002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23ClN4O/c1-32-25-10-8-20(12-23(25)27)15-31-26-21(16-29-14-18-5-3-2-4-6-18)17-30-24-9-7-19(13-28)11-22(24)26/h2-12,17,29H,14-16H2,1H3,(H,30,31)