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

Systemtic Name: N-(3-azanyl-2-oxidanyl-propyl)-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-quinoline-3-carboxamide Openeye Name: N-(3-amino-2-hydroxy-propyl)-4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-quinoline-3-carboxamide CAS Name: N-(3-amino-2-hydroxypropyl)-4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-3-quinolinecarboxamide IUPAC Name: N-(3-amino-2-hydroxypropyl)-4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyanoquinoline-3-carboxamide Traditional Name: N-(3-amino-2-hydroxy-propyl)-4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-quinoline-3-carboxamide Formula: C22H22ClN5O3 MolecularWeight: 439.89478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN5O3/c1-31-20-5-3-14(7-18(20)23)10-27-21-16-6-13(8-24)2-4-19(16)26-12-17(21)22(30)28-11-15(29)9-25/h2-7,12,15,29H,9-11,25H2,1H3,(H,26,27)(H,28,30)