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

Systemtic Name: N-(2-azanylethyl)-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-quinoline-3-carboxamide Openeye Name: N-(2-aminoethyl)-4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-quinoline-3-carboxamide CAS Name: N-(2-aminoethyl)-4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-3-quinolinecarboxamide IUPAC Name: N-(2-aminoethyl)-4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyanoquinoline-3-carboxamide Traditional Name: N-(2-aminoethyl)-4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-quinoline-3-carboxamide Formula: C21H20ClN5O2 MolecularWeight: 409.8688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2C(=O)NCCN)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2C(=O)NCCN)C#N)Cl

InChI

InChI=1S/C21H20ClN5O2/c1-29-19-5-3-14(9-17(19)22)11-27-20-15-8-13(10-24)2-4-18(15)26-12-16(20)21(28)25-7-6-23/h2-5,8-9,12H,6-7,11,23H2,1H3,(H,25,28)(H,26,27)