N-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-3H-benzimidazole-5-carboxamide Openeye Name: N-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(hydroxymethyl)-2-oxo-ethyl]-3H-benzimidazole-5-carboxamide CAS Name: N-[(2S)-1-[4-(4-fluorophenyl)-1-piperazinyl]-3-hydroxy-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide IUPAC Name: N-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide Traditional Name: N-[(1S)-2-[4-(4-fluorophenyl)piperazino]-2-keto-1-methylol-ethyl]-3H-benzimidazole-5-carboxamide Formula: C21H22FN5O3 MolecularWeight: 411.429483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C(CO)NC(=O)C3=CC4=C(C=C3)N=CN4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)[C@H](CO)NC(=O)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C21H22FN5O3/c22-15-2-4-16(5-3-15)26-7-9-27(10-8-26)21(30)19(12-28)25-20(29)14-1-6-17-18(11-14)24-13-23-17/h1-6,11,13,19,28H,7-10,12H2,(H,23,24)(H,25,29)/t19-/m0/s1