N-[[5-[(7-chloranylquinolin-4-yl)amino]-2-methoxy-phenyl]methyl]-4-methyl-piperazine-1-carboxamide

Systemtic Name: N-[[5-[(7-chloranylquinolin-4-yl)amino]-2-methoxy-phenyl]methyl]-4-methyl-piperazine-1-carboxamide Openeye Name: N-[[5-[(7-chloro-4-quinolyl)amino]-2-methoxy-phenyl]methyl]-4-methyl-piperazine-1-carboxamide CAS Name: N-[[5-[(7-chloro-4-quinolinyl)amino]-2-methoxyphenyl]methyl]-4-methyl-1-piperazinecarboxamide IUPAC Name: N-[[5-[(7-chloroquinolin-4-yl)amino]-2-methoxyphenyl]methyl]-4-methylpiperazine-1-carboxamide Traditional Name: N-[5-[(7-chloro-4-quinolyl)amino]-2-methoxy-benzyl]-4-methyl-piperazine-1-carboxamide Formula: C23H26ClN5O2 MolecularWeight: 439.93784

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)NCC2=C(C=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)OC

Isomeric SMILES

CN1CCN(CC1)C(=O)NCC2=C(C=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)OC

InChI

InChI=1S/C23H26ClN5O2/c1-28-9-11-29(12-10-28)23(30)26-15-16-13-18(4-6-22(16)31-2)27-20-7-8-25-21-14-17(24)3-5-19(20)21/h3-8,13-14H,9-12,15H2,1-2H3,(H,25,27)(H,26,30)