N-(4-chlorophenyl)-1-oxidanylidene-2-(pyridin-3-ylmethyl)isoquinoline-4-carboxamide

Systemtic Name: N-(4-chlorophenyl)-1-oxidanylidene-2-(pyridin-3-ylmethyl)isoquinoline-4-carboxamide Openeye Name: N-(4-chlorophenyl)-1-oxo-2-(3-pyridylmethyl)isoquinoline-4-carboxamide CAS Name: N-(4-chlorophenyl)-1-oxo-2-(3-pyridinylmethyl)-4-isoquinolinecarboxamide IUPAC Name: N-(4-chlorophenyl)-1-oxo-2-(pyridin-3-ylmethyl)isoquinoline-4-carboxamide Traditional Name: N-(4-chlorophenyl)-1-keto-2-(3-pyridylmethyl)isoquinoline-4-carboxamide Formula: C22H16ClN3O2 MolecularWeight: 389.83434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN(C2=O)CC3=CN=CC=C3)C(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN(C2=O)CC3=CN=CC=C3)C(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H16ClN3O2/c23-16-7-9-17(10-8-16)25-21(27)20-14-26(13-15-4-3-11-24-12-15)22(28)19-6-2-1-5-18(19)20/h1-12,14H,13H2,(H,25,27)