N-(1,3-benzodioxol-5-ylmethyl)-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-quinoline-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-quinoline-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-quinoline-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-3-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyanoquinoline-3-carboxamide Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-N-piperonyl-quinoline-3-carboxamide Formula: C27H21ClN4O4 MolecularWeight: 500.93304

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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=CC5=C(C=C4)OCO5)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2C(=O)NCC4=CC5=C(C=C4)OCO5)C#N)Cl

InChI

InChI=1S/C27H21ClN4O4/c1-34-23-6-3-17(9-21(23)28)12-31-26-19-8-16(11-29)2-5-22(19)30-14-20(26)27(33)32-13-18-4-7-24-25(10-18)36-15-35-24/h2-10,14H,12-13,15H2,1H3,(H,30,31)(H,32,33)