4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-[[methyl(3-methylbutyl)amino]methyl]quinoline-6-carbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C)CC1=CN=C2C=CC(=CC2=C1NCC3=CC(=C(C=C3)OC)Cl)C#N

Isomeric SMILES

CC(C)CCN(C)CC1=CN=C2C=CC(=CC2=C1NCC3=CC(=C(C=C3)OC)Cl)C#N

InChI

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