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

Systemtic Name: [4-(3-piperidin-1-ylpropoxy)phenyl]-(5-pyrrolidin-1-ylcarbonyl-1,3-dihydroisoindol-2-yl)methanone hydrochloride Openeye Name: [4-[3-(1-piperidyl)propoxy]phenyl]-[5-(pyrrolidine-1-carbonyl)isoindolin-2-yl]methanone hydrochloride CAS Name: [5-[oxo(1-pyrrolidinyl)methyl]-1,3-dihydroisoindol-2-yl]-[4-[3-(1-piperidinyl)propoxy]phenyl]methanone hydrochloride IUPAC Name: [4-(3-piperidin-1-ylpropoxy)phenyl]-[5-(pyrrolidine-1-carbonyl)-1,3-dihydroisoindol-2-yl]methanone hydrochloride Traditional Name: [4-(3-piperidinopropoxy)phenyl]-[5-(pyrrolidine-1-carbonyl)isoindolin-2-yl]methanone hydrochloride Formula: C28H36ClN3O3 MolecularWeight: 498.05674

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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)C(=O)N5CCCC5.Cl

Isomeric SMILES

C1CCN(CC1)CCCOC2=CC=C(C=C2)C(=O)N3CC4=C(C3)C=C(C=C4)C(=O)N5CCCC5.Cl

InChI

InChI=1S/C28H35N3O3.ClH/c32-27(22-9-11-26(12-10-22)34-18-6-15-29-13-2-1-3-14-29)31-20-24-8-7-23(19-25(24)21-31)28(33)30-16-4-5-17-30;/h7-12,19H,1-6,13-18,20-21H2;1H