4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-N-[2-(4-hydroxyphenyl)ethyl]quinoline-3-carboxamide

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-N-[2-(4-hydroxyphenyl)ethyl]quinoline-3-carboxamide Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-N-[2-(4-hydroxyphenyl)ethyl]quinoline-3-carboxamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-[2-(4-hydroxyphenyl)ethyl]-3-quinolinecarboxamide IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-[2-(4-hydroxyphenyl)ethyl]quinoline-3-carboxamide Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-N-[2-(4-hydroxyphenyl)ethyl]quinoline-3-carboxamide Formula: C27H23ClN4O3 MolecularWeight: 486.94952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2C(=O)NCCC4=CC=C(C=C4)O)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2C(=O)NCCC4=CC=C(C=C4)O)C#N)Cl

InChI

InChI=1S/C27H23ClN4O3/c1-35-25-9-5-19(13-23(25)28)15-32-26-21-12-18(14-29)4-8-24(21)31-16-22(26)27(34)30-11-10-17-2-6-20(33)7-3-17/h2-9,12-13,16,33H,10-11,15H2,1H3,(H,30,34)(H,31,32)