N-(5-chloranyl-2-piperidin-1-yl-phenyl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: N-(5-chloranyl-2-piperidin-1-yl-phenyl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[5-chloro-2-(1-piperidyl)phenyl]-1-oxo-isochromane-3-carboxamide CAS Name: N-[5-chloro-2-(1-piperidinyl)phenyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-(5-chloro-2-piperidin-1-ylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-(5-chloro-2-piperidino-phenyl)-1-keto-isochroman-3-carboxamide Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C21H21ClN2O3/c22-15-8-9-18(24-10-4-1-5-11-24)17(13-15)23-20(25)19-12-14-6-2-3-7-16(14)21(26)27-19/h2-3,6-9,13,19H,1,4-5,10-12H2,(H,23,25)