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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-[(4-methylpentan-2-ylamino)methyl]quinoline-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-3-[(1,3-dimethylbutylamino)methyl]quinoline-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-[(4-methylpentan-2-ylamino)methyl]-6-quinolinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-[(4-methylpentan-2-ylamino)methyl]quinoline-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-3-[(1,3-dimethylbutylamino)methyl]quinoline-6-carbonitrile Formula: C25H29ClN4O MolecularWeight: 436.97696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29ClN4O/c1-16(2)9-17(3)28-14-20-15-29-23-7-5-18(12-27)10-21(23)25(20)30-13-19-6-8-24(31-4)22(26)11-19/h5-8,10-11,15-17,28H,9,13-14H2,1-4H3,(H,29,30)