4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-[(1-oxidanylpropan-2-ylamino)methyl]quinoline-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-[(1-oxidanylpropan-2-ylamino)methyl]quinoline-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-3-[[(2-hydroxy-1-methyl-ethyl)amino]methyl]quinoline-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-[(1-hydroxypropan-2-ylamino)methyl]-6-quinolinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-[(1-hydroxypropan-2-ylamino)methyl]quinoline-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-3-[[(2-hydroxy-1-methyl-ethyl)amino]methyl]quinoline-6-carbonitrile Formula: C22H23ClN4O2 MolecularWeight: 410.89662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN4O2/c1-14(13-28)25-11-17-12-26-20-5-3-15(9-24)7-18(20)22(17)27-10-16-4-6-21(29-2)19(23)8-16/h3-8,12,14,25,28H,10-11,13H2,1-2H3,(H,26,27)