3-[(3Z)-3-hydroxyimino-1-phenyl-5-pyrrolidin-1-yl-pentyl]-2-oxidanyl-chromen-4-one hydrochloride

Systemtic Name: 3-[(3Z)-3-hydroxyimino-1-phenyl-5-pyrrolidin-1-yl-pentyl]-2-oxidanyl-chromen-4-one hydrochloride Openeye Name: 2-hydroxy-3-[(3Z)-3-hydroxyimino-1-phenyl-5-pyrrolidin-1-yl-pentyl]chromen-4-one hydrochloride CAS Name: 2-hydroxy-3-[(3Z)-3-hydroxyimino-1-phenyl-5-(1-pyrrolidinyl)pentyl]-1-benzopyran-4-one hydrochloride IUPAC Name: 2-hydroxy-3-[(3Z)-3-hydroxyimino-1-phenyl-5-pyrrolidin-1-ylpentyl]chromen-4-one hydrochloride Traditional Name: 3-[(3Z)-3-hydroximino-1-phenyl-5-pyrrolidino-pentyl]-2-hydroxy-chromone hydrochloride Formula: C24H27ClN2O4 MolecularWeight: 442.93518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCC(=NO)CC(C2=CC=CC=C2)C3=C(OC4=CC=CC=C4C3=O)O.Cl

Isomeric SMILES

C1CCN(C1)CC/C(=N\O)/CC(C2=CC=CC=C2)C3=C(OC4=CC=CC=C4C3=O)O.Cl

InChI

InChI=1S/C24H26N2O4.ClH/c27-23-19-10-4-5-11-21(19)30-24(28)22(23)20(17-8-2-1-3-9-17)16-18(25-29)12-15-26-13-6-7-14-26;/h1-5,8-11,20,28-29H,6-7,12-16H2;1H/b25-18+;