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

Systemtic Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-phenyl-propanamide Openeye Name: N-[(1S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(hydroxymethyl)-2-oxo-ethyl]-2-phenyl-propanamide CAS Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-hydroxy-1-oxopropan-2-yl]-2-phenylpropanamide IUPAC Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-2-phenylpropanamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-(4-piperonylpiperazino)ethyl]-2-phenyl-propionamide Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(=O)NC(CO)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H29N3O5/c1-17(19-5-3-2-4-6-19)23(29)25-20(15-28)24(30)27-11-9-26(10-12-27)14-18-7-8-21-22(13-18)32-16-31-21/h2-8,13,17,20,28H,9-12,14-16H2,1H3,(H,25,29)/t17?,20-/m0/s1