N-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-oxidanyl-5-pyrrol-1-yl-benzamide

Systemtic Name: N-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-oxidanyl-5-pyrrol-1-yl-benzamide Openeye Name: 2-hydroxy-N-[(1S)-1-(hydroxymethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-5-pyrrol-1-yl-benzamide CAS Name: 2-hydroxy-N-[(2S)-3-hydroxy-1-[4-(2-methoxyphenyl)-1-piperazinyl]-1-oxopropan-2-yl]-5-(1-pyrrolyl)benzamide IUPAC Name: 2-hydroxy-N-[(2S)-3-hydroxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-5-pyrrol-1-ylbenzamide Traditional Name: 2-hydroxy-N-[(1S)-2-keto-2-[4-(2-methoxyphenyl)piperazino]-1-methylol-ethyl]-5-pyrrol-1-yl-benzamide Formula: C25H28N4O5 MolecularWeight: 464.51362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)C(CO)NC(=O)C3=C(C=CC(=C3)N4C=CC=C4)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)[C@H](CO)NC(=O)C3=C(C=CC(=C3)N4C=CC=C4)O

InChI

InChI=1S/C25H28N4O5/c1-34-23-7-3-2-6-21(23)28-12-14-29(15-13-28)25(33)20(17-30)26-24(32)19-16-18(8-9-22(19)31)27-10-4-5-11-27/h2-11,16,20,30-31H,12-15,17H2,1H3,(H,26,32)/t20-/m0/s1