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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-N-(phenylmethyl)quinoline-3-carboxamide Openeye Name: N-benzyl-4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-quinoline-3-carboxamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-(phenylmethyl)-3-quinolinecarboxamide IUPAC Name: N-benzyl-4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyanoquinoline-3-carboxamide Traditional Name: N-benzyl-4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-quinoline-3-carboxamide Formula: C26H21ClN4O2 MolecularWeight: 456.92354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2C(=O)NCC4=CC=CC=C4)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2C(=O)NCC4=CC=CC=C4)C#N)Cl

InChI

InChI=1S/C26H21ClN4O2/c1-33-24-10-8-19(12-22(24)27)15-30-25-20-11-18(13-28)7-9-23(20)29-16-21(25)26(32)31-14-17-5-3-2-4-6-17/h2-12,16H,14-15H2,1H3,(H,29,30)(H,31,32)