1-[(2S)-2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]carbonylpyrrolidin-1-yl]-2-phenyl-ethanone

Systemtic Name: 1-[(2S)-2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]carbonylpyrrolidin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[(2S)-2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl]pyrrolidin-1-yl]-2-phenyl-ethanone CAS Name: 1-[(2S)-2-[[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-piperazinyl]-oxomethyl]-1-pyrrolidinyl]-2-phenylethanone IUPAC Name: 1-[(2S)-2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone Traditional Name: 1-[(2S)-2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl]pyrrolidino]-2-phenyl-ethanone Formula: C26H31N3O5 MolecularWeight: 465.54144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)CN3CCN(CC3)C(=O)C4CCCN4C(=O)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)CN3CCN(CC3)C(=O)[C@@H]4CCCN4C(=O)CC5=CC=CC=C5

InChI

InChI=1S/C26H31N3O5/c1-32-22-14-20(15-23-25(22)34-18-33-23)17-27-10-12-28(13-11-27)26(31)21-8-5-9-29(21)24(30)16-19-6-3-2-4-7-19/h2-4,6-7,14-15,21H,5,8-13,16-18H2,1H3/t21-/m0/s1