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

Systemtic Name: N-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-oxidanyl-5-pyrrol-1-yl-benzamide Openeye Name: N-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(hydroxymethyl)-2-oxo-ethyl]-2-hydroxy-5-pyrrol-1-yl-benzamide CAS Name: N-[(2S)-1-[4-(4-fluorophenyl)-1-piperazinyl]-3-hydroxy-1-oxopropan-2-yl]-2-hydroxy-5-(1-pyrrolyl)benzamide IUPAC Name: N-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-2-hydroxy-5-pyrrol-1-ylbenzamide Traditional Name: N-[(1S)-2-[4-(4-fluorophenyl)piperazino]-2-keto-1-methylol-ethyl]-2-hydroxy-5-pyrrol-1-yl-benzamide Formula: C24H25FN4O4 MolecularWeight: 452.478103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C(CO)NC(=O)C3=C(C=CC(=C3)N4C=CC=C4)O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)[C@H](CO)NC(=O)C3=C(C=CC(=C3)N4C=CC=C4)O

InChI

InChI=1S/C24H25FN4O4/c25-17-3-5-18(6-4-17)28-11-13-29(14-12-28)24(33)21(16-30)26-23(32)20-15-19(7-8-22(20)31)27-9-1-2-10-27/h1-10,15,21,30-31H,11-14,16H2,(H,26,32)/t21-/m0/s1