N-[(3-chlorophenyl)methyl]-1-morpholin-4-yl-isoquinoline-4-carboxamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-1-morpholin-4-yl-isoquinoline-4-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-1-morpholino-isoquinoline-4-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-1-(4-morpholinyl)-4-isoquinolinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-1-morpholin-4-ylisoquinoline-4-carboxamide Traditional Name: N-(3-chlorobenzyl)-1-morpholino-isoquinoline-4-carboxamide Formula: C21H20ClN3O2 MolecularWeight: 381.8554

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=C(C3=CC=CC=C32)C(=O)NCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1COCCN1C2=NC=C(C3=CC=CC=C32)C(=O)NCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H20ClN3O2/c22-16-5-3-4-15(12-16)13-24-21(26)19-14-23-20(25-8-10-27-11-9-25)18-7-2-1-6-17(18)19/h1-7,12,14H,8-11,13H2,(H,24,26)