4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-[(2-cyanoethylamino)methyl]quinoline-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-[(2-cyanoethylamino)methyl]quinoline-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-3-[(2-cyanoethylamino)methyl]quinoline-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-[(2-cyanoethylamino)methyl]-6-quinolinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-[(2-cyanoethylamino)methyl]quinoline-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-3-[(2-cyanoethylamino)methyl]quinoline-6-carbonitrile Formula: C22H20ClN5O MolecularWeight: 405.8801

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2CNCCC#N)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2CNCCC#N)C#N)Cl

InChI

InChI=1S/C22H20ClN5O/c1-29-21-6-4-16(10-19(21)23)12-28-22-17(13-26-8-2-7-24)14-27-20-5-3-15(11-25)9-18(20)22/h3-6,9-10,14,26H,2,8,12-13H2,1H3,(H,27,28)