4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-ethyl-3-[(2-oxidanyl-3-pyrrolidin-1-yl-propoxy)methyl]quinoline-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-ethyl-3-[(2-oxidanyl-3-pyrrolidin-1-yl-propoxy)methyl]quinoline-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-8-ethyl-3-[(2-hydroxy-3-pyrrolidin-1-yl-propoxy)methyl]quinoline-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-ethyl-3-[[2-hydroxy-3-(1-pyrrolidinyl)propoxy]methyl]-6-quinolinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-ethyl-3-[(2-hydroxy-3-pyrrolidin-1-ylpropoxy)methyl]quinoline-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-8-ethyl-3-[(2-hydroxy-3-pyrrolidino-propoxy)methyl]quinoline-6-carbonitrile Formula: C28H33ClN4O3 MolecularWeight: 509.03962

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC2=C(C(=CN=C12)COCC(CN3CCCC3)O)NCC4=CC(=C(C=C4)OC)Cl)C#N

Isomeric SMILES

CCC1=CC(=CC2=C(C(=CN=C12)COCC(CN3CCCC3)O)NCC4=CC(=C(C=C4)OC)Cl)C#N

InChI

InChI=1S/C28H33ClN4O3/c1-3-21-10-20(13-30)11-24-27(21)32-15-22(17-36-18-23(34)16-33-8-4-5-9-33)28(24)31-14-19-6-7-26(35-2)25(29)12-19/h6-7,10-12,15,23,34H,3-5,8-9,14,16-18H2,1-2H3,(H,31,32)