4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-(2-ethoxyethoxymethyl)-8-ethyl-quinoline-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-(2-ethoxyethoxymethyl)-8-ethyl-quinoline-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-3-(2-ethoxyethoxymethyl)-8-ethyl-quinoline-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-(2-ethoxyethoxymethyl)-8-ethyl-6-quinolinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-(2-ethoxyethoxymethyl)-8-ethylquinoline-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-3-(2-ethoxyethoxymethyl)-8-ethyl-quinoline-6-carbonitrile Formula: C25H28ClN3O3 MolecularWeight: 453.96112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28ClN3O3/c1-4-19-10-18(13-27)11-21-24(19)29-15-20(16-32-9-8-31-5-2)25(21)28-14-17-6-7-23(30-3)22(26)12-17/h6-7,10-12,15H,4-5,8-9,14,16H2,1-3H3,(H,28,29)