N-(3-azanyl-2,2-dimethyl-propyl)-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-quinoline-3-carboxamide

Systemtic Name: N-(3-azanyl-2,2-dimethyl-propyl)-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-quinoline-3-carboxamide Openeye Name: N-(3-amino-2,2-dimethyl-propyl)-4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-quinoline-3-carboxamide CAS Name: N-(3-amino-2,2-dimethylpropyl)-4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-3-quinolinecarboxamide IUPAC Name: N-(3-amino-2,2-dimethylpropyl)-4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyanoquinoline-3-carboxamide Traditional Name: N-(3-amino-2,2-dimethyl-propyl)-4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-quinoline-3-carboxamide Formula: C24H26ClN5O2 MolecularWeight: 451.94854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN)CNC(=O)C1=CN=C2C=CC(=CC2=C1NCC3=CC(=C(C=C3)OC)Cl)C#N

Isomeric SMILES

CC(C)(CN)CNC(=O)C1=CN=C2C=CC(=CC2=C1NCC3=CC(=C(C=C3)OC)Cl)C#N

InChI

InChI=1S/C24H26ClN5O2/c1-24(2,13-27)14-30-23(31)18-12-28-20-6-4-15(10-26)8-17(20)22(18)29-11-16-5-7-21(32-3)19(25)9-16/h4-9,12H,11,13-14,27H2,1-3H3,(H,28,29)(H,30,31)