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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-[(pentan-2-ylamino)methyl]quinoline-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-3-[(1-methylbutylamino)methyl]quinoline-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-[(pentan-2-ylamino)methyl]-6-quinolinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-[(pentan-2-ylamino)methyl]quinoline-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-3-[(1-methylbutylamino)methyl]quinoline-6-carbonitrile Formula: C24H27ClN4O MolecularWeight: 422.95038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27ClN4O/c1-4-5-16(2)27-14-19-15-28-22-8-6-17(12-26)10-20(22)24(19)29-13-18-7-9-23(30-3)21(25)11-18/h6-11,15-16,27H,4-5,13-14H2,1-3H3,(H,28,29)