4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-[[3-(dimethylamino)-2-oxidanyl-propoxy]methyl]-8-ethyl-quinoline-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-[[3-(dimethylamino)-2-oxidanyl-propoxy]methyl]-8-ethyl-quinoline-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-3-[[3-(dimethylamino)-2-hydroxy-propoxy]methyl]-8-ethyl-quinoline-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-[[3-(dimethylamino)-2-hydroxypropoxy]methyl]-8-ethyl-6-quinolinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-[[3-(dimethylamino)-2-hydroxypropoxy]methyl]-8-ethylquinoline-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-3-[[3-(dimethylamino)-2-hydroxy-propoxy]methyl]-8-ethyl-quinoline-6-carbonitrile Formula: C26H31ClN4O3 MolecularWeight: 483.00234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31ClN4O3/c1-5-19-8-18(11-28)9-22-25(19)30-13-20(15-34-16-21(32)14-31(2)3)26(22)29-12-17-6-7-24(33-4)23(27)10-17/h6-10,13,21,32H,5,12,14-16H2,1-4H3,(H,29,30)