4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-[(1-oxidanylpentan-3-ylamino)methyl]quinoline-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-[(1-oxidanylpentan-3-ylamino)methyl]quinoline-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-3-[[(1-ethyl-3-hydroxy-propyl)amino]methyl]quinoline-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-[(1-hydroxypentan-3-ylamino)methyl]-6-quinolinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-[(1-hydroxypentan-3-ylamino)methyl]quinoline-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-3-[[(1-ethyl-3-hydroxy-propyl)amino]methyl]quinoline-6-carbonitrile Formula: C24H27ClN4O2 MolecularWeight: 438.94978

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCO)NCC1=CN=C2C=CC(=CC2=C1NCC3=CC(=C(C=C3)OC)Cl)C#N

Isomeric SMILES

CCC(CCO)NCC1=CN=C2C=CC(=CC2=C1NCC3=CC(=C(C=C3)OC)Cl)C#N

InChI

InChI=1S/C24H27ClN4O2/c1-3-19(8-9-30)27-14-18-15-28-22-6-4-16(12-26)10-20(22)24(18)29-13-17-5-7-23(31-2)21(25)11-17/h4-7,10-11,15,19,27,30H,3,8-9,13-14H2,1-2H3,(H,28,29)