4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-ethyl-3-(methoxymethyl)quinoline-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-ethyl-3-(methoxymethyl)quinoline-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-8-ethyl-3-(methoxymethyl)quinoline-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-ethyl-3-(methoxymethyl)-6-quinolinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-ethyl-3-(methoxymethyl)quinoline-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-8-ethyl-3-(methoxymethyl)quinoline-6-carbonitrile Formula: C22H22ClN3O2 MolecularWeight: 395.88198

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC2=C(C(=CN=C12)COC)NCC3=CC(=C(C=C3)OC)Cl)C#N

Isomeric SMILES

CCC1=CC(=CC2=C(C(=CN=C12)COC)NCC3=CC(=C(C=C3)OC)Cl)C#N

InChI

InChI=1S/C22H22ClN3O2/c1-4-16-7-15(10-24)8-18-21(16)26-12-17(13-27-2)22(18)25-11-14-5-6-20(28-3)19(23)9-14/h5-9,12H,4,11,13H2,1-3H3,(H,25,26)