N-(5-chloranyl-2-methoxy-phenyl)-1-(diethylamino)isoquinoline-4-carboxamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-1-(diethylamino)isoquinoline-4-carboxamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-1-(diethylamino)isoquinoline-4-carboxamide CAS Name: N-(5-chloro-2-methoxyphenyl)-1-(diethylamino)-4-isoquinolinecarboxamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-1-(diethylamino)isoquinoline-4-carboxamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-1-(diethylamino)isoquinoline-4-carboxamide Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC=C(C2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CCN(CC)C1=NC=C(C2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C21H22ClN3O2/c1-4-25(5-2)20-16-9-7-6-8-15(16)17(13-23-20)21(26)24-18-12-14(22)10-11-19(18)27-3/h6-13H,4-5H2,1-3H3,(H,24,26)