N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-1-morpholin-4-yl-isoquinoline-4-carboxamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-1-morpholin-4-yl-isoquinoline-4-carboxamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-1-morpholino-isoquinoline-4-carboxamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-1-(4-morpholinyl)-4-isoquinolinecarboxamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-1-morpholino-isoquinoline-4-carboxamide Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCOCC4

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCOCC4

InChI

InChI=1S/C22H22ClN3O3/c1-14-11-19(20(28-2)12-18(14)23)25-22(27)17-13-24-21(26-7-9-29-10-8-26)16-6-4-3-5-15(16)17/h3-6,11-13H,7-10H2,1-2H3,(H,25,27)