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

Systemtic Name: 3-[(butan-2-ylamino)methyl]-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]quinoline-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-3-[(sec-butylamino)methyl]quinoline-6-carbonitrile CAS Name: 3-[(butan-2-ylamino)methyl]-4-[(3-chloro-4-methoxyphenyl)methylamino]-6-quinolinecarbonitrile IUPAC Name: 3-[(butan-2-ylamino)methyl]-4-[(3-chloro-4-methoxyphenyl)methylamino]quinoline-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-3-[(sec-butylamino)methyl]quinoline-6-carbonitrile Formula: C23H25ClN4O MolecularWeight: 408.9238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN4O/c1-4-15(2)26-13-18-14-27-21-7-5-16(11-25)9-19(21)23(18)28-12-17-6-8-22(29-3)20(24)10-17/h5-10,14-15,26H,4,12-13H2,1-3H3,(H,27,28)