1-[2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-isochromene-6-carboxamide

Systemtic Name: 1-[2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-isochromene-6-carboxamide Openeye Name: 1-[2-[4-(4-benzyloxyphenyl)piperazin-1-yl]ethyl]isochromane-6-carboxamide CAS Name: 1-[2-[4-(4-phenylmethoxyphenyl)-1-piperazinyl]ethyl]-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: 1-[2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-isochromene-6-carboxamide Traditional Name: 1-[2-[4-(4-benzoxyphenyl)piperazino]ethyl]isochroman-6-carboxamide Formula: C29H33N3O3 MolecularWeight: 471.59062

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=C1C=C(C=C2)C(=O)N)CCN3CCN(CC3)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1COC(C2=C1C=C(C=C2)C(=O)N)CCN3CCN(CC3)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C29H33N3O3/c30-29(33)24-6-11-27-23(20-24)13-19-34-28(27)12-14-31-15-17-32(18-16-31)25-7-9-26(10-8-25)35-21-22-4-2-1-3-5-22/h1-11,20,28H,12-19,21H2,(H2,30,33)