4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-[(3,3-dimethylbutylamino)methyl]quinoline-6-carbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCNCC1=CN=C2C=CC(=CC2=C1NCC3=CC(=C(C=C3)OC)Cl)C#N

Isomeric SMILES

CC(C)(C)CCNCC1=CN=C2C=CC(=CC2=C1NCC3=CC(=C(C=C3)OC)Cl)C#N

InChI

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