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

Systemtic Name: 2-(4-chlorophenyl)-1-oxidanylidene-N-(oxolan-2-ylmethyl)isoquinoline-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-1-oxo-N-(tetrahydrofuran-2-ylmethyl)isoquinoline-4-carboxamide CAS Name: 2-(4-chlorophenyl)-1-oxo-N-(2-oxolanylmethyl)-4-isoquinolinecarboxamide IUPAC Name: 2-(4-chlorophenyl)-1-oxo-N-(oxolan-2-ylmethyl)isoquinoline-4-carboxamide Traditional Name: 2-(4-chlorophenyl)-1-keto-N-(tetrahydrofurfuryl)isoquinoline-4-carboxamide Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H19ClN2O3/c22-14-7-9-15(10-8-14)24-13-19(17-5-1-2-6-18(17)21(24)26)20(25)23-12-16-4-3-11-27-16/h1-2,5-10,13,16H,3-4,11-12H2,(H,23,25)