4-phenylmethoxy-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one hydrochloride

Systemtic Name: 4-phenylmethoxy-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one hydrochloride Openeye Name: 4-benzyloxy-7-[5-(1-piperidylmethyl)-1H-indol-2-yl]isoindolin-1-one hydrochloride CAS Name: 4-phenylmethoxy-7-[5-(1-piperidinylmethyl)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one hydrochloride IUPAC Name: 4-phenylmethoxy-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one hydrochloride Traditional Name: 4-benzoxy-7-[5-(piperidinomethyl)-1H-indol-2-yl]isoindolin-1-one hydrochloride Formula: C29H30ClN3O2 MolecularWeight: 488.0204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC3=C(C=C2)NC(=C3)C4=C5C(=C(C=C4)OCC6=CC=CC=C6)CNC5=O.Cl

Isomeric SMILES

C1CCN(CC1)CC2=CC3=C(C=C2)NC(=C3)C4=C5C(=C(C=C4)OCC6=CC=CC=C6)CNC5=O.Cl

InChI

InChI=1S/C29H29N3O2.ClH/c33-29-28-23(10-12-27(24(28)17-30-29)34-19-20-7-3-1-4-8-20)26-16-22-15-21(9-11-25(22)31-26)18-32-13-5-2-6-14-32;/h1,3-4,7-12,15-16,31H,2,5-6,13-14,17-19H2,(H,30,33);1H