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

Systemtic Name: N-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-3H-benzimidazole-5-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-3H-benzimidazole-5-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-[4-(2-methoxyphenyl)-1-piperazinyl]-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide Traditional Name: N-[(1S)-2-keto-2-[4-(2-methoxyphenyl)piperazino]-1-methylol-ethyl]-3H-benzimidazole-5-carboxamide Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)C(CO)NC(=O)C3=CC4=C(C=C3)N=CN4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)[C@H](CO)NC(=O)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C22H25N5O4/c1-31-20-5-3-2-4-19(20)26-8-10-27(11-9-26)22(30)18(13-28)25-21(29)15-6-7-16-17(12-15)24-14-23-16/h2-7,12,14,18,28H,8-11,13H2,1H3,(H,23,24)(H,25,29)/t18-/m0/s1