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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-(dimethylaminomethyl)quinoline-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-3-(dimethylaminomethyl)quinoline-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-(dimethylaminomethyl)-6-quinolinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-(dimethylaminomethyl)quinoline-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-3-(dimethylaminomethyl)quinoline-6-carbonitrile Formula: C21H21ClN4O MolecularWeight: 380.87064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CN=C2C=CC(=CC2=C1NCC3=CC(=C(C=C3)OC)Cl)C#N

Isomeric SMILES

CN(C)CC1=CN=C2C=CC(=CC2=C1NCC3=CC(=C(C=C3)OC)Cl)C#N

InChI

InChI=1S/C21H21ClN4O/c1-26(2)13-16-12-24-19-6-4-14(10-23)8-17(19)21(16)25-11-15-5-7-20(27-3)18(22)9-15/h4-9,12H,11,13H2,1-3H3,(H,24,25)