(5-nitro-1,3-dihydroisoindol-2-yl)-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone hydrochloride

Systemtic Name: (5-nitro-1,3-dihydroisoindol-2-yl)-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone hydrochloride Openeye Name: (5-nitroisoindolin-2-yl)-[4-[3-(1-piperidyl)propoxy]phenyl]methanone hydrochloride CAS Name: (5-nitro-1,3-dihydroisoindol-2-yl)-[4-[3-(1-piperidinyl)propoxy]phenyl]methanone hydrochloride IUPAC Name: (5-nitro-1,3-dihydroisoindol-2-yl)-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone hydrochloride Traditional Name: (5-nitroisoindolin-2-yl)-[4-(3-piperidinopropoxy)phenyl]methanone hydrochloride Formula: C23H28ClN3O4 MolecularWeight: 445.93912

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=CC=C(C=C2)C(=O)N3CC4=C(C3)C=C(C=C4)[N+](=O)[O-].Cl

Isomeric SMILES

C1CCN(CC1)CCCOC2=CC=C(C=C2)C(=O)N3CC4=C(C3)C=C(C=C4)[N+](=O)[O-].Cl

InChI

InChI=1S/C23H27N3O4.ClH/c27-23(25-16-19-5-8-21(26(28)29)15-20(19)17-25)18-6-9-22(10-7-18)30-14-4-13-24-11-2-1-3-12-24;/h5-10,15H,1-4,11-14,16-17H2;1H