N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-1-phenyl-cyclopentane-1-carboxamide

Systemtic Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-1-phenyl-cyclopentane-1-carboxamide Openeye Name: N-[(1S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(hydroxymethyl)-2-oxo-ethyl]-1-phenyl-cyclopentanecarboxamide CAS Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-hydroxy-1-oxopropan-2-yl]-1-phenyl-1-cyclopentanecarboxamide IUPAC Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-(4-piperonylpiperazino)ethyl]-1-phenyl-cyclopentanecarboxamide Formula: C27H33N3O5 MolecularWeight: 479.56802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC=CC=C2)C(=O)NC(CO)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(C1)(C2=CC=CC=C2)C(=O)N[C@@H](CO)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H33N3O5/c31-18-22(28-26(33)27(10-4-5-11-27)21-6-2-1-3-7-21)25(32)30-14-12-29(13-15-30)17-20-8-9-23-24(16-20)35-19-34-23/h1-3,6-9,16,22,31H,4-5,10-15,17-19H2,(H,28,33)/t22-/m0/s1