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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-1-pyrrolidin-1-yl-isoquinoline-4-carboxamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-1-pyrrolidin-1-yl-isoquinoline-4-carboxamide CAS Name: N-(5-chloro-2-methoxyphenyl)-1-(1-pyrrolidinyl)-4-isoquinolinecarboxamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-1-pyrrolidin-1-ylisoquinoline-4-carboxamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-1-pyrrolidino-isoquinoline-4-carboxamide Formula: C21H20ClN3O2 MolecularWeight: 381.8554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCCC4

InChI

InChI=1S/C21H20ClN3O2/c1-27-19-9-8-14(22)12-18(19)24-21(26)17-13-23-20(25-10-4-5-11-25)16-7-3-2-6-15(16)17/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,24,26)