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

Systemtic Name: N-[(2S)-1-[4-(4-ethanoylphenyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-3H-benzimidazole-5-carboxamide Openeye Name: N-[(1S)-2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(hydroxymethyl)-2-oxo-ethyl]-3H-benzimidazole-5-carboxamide CAS Name: N-[(2S)-1-[4-(4-acetylphenyl)-1-piperazinyl]-3-hydroxy-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide IUPAC Name: N-[(2S)-1-[4-(4-acetylphenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide Traditional Name: N-[(1S)-2-[4-(4-acetylphenyl)piperazino]-2-keto-1-methylol-ethyl]-3H-benzimidazole-5-carboxamide Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C(CO)NC(=O)C3=CC4=C(C=C3)N=CN4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)[C@H](CO)NC(=O)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C23H25N5O4/c1-15(30)16-2-5-18(6-3-16)27-8-10-28(11-9-27)23(32)21(13-29)26-22(31)17-4-7-19-20(12-17)25-14-24-19/h2-7,12,14,21,29H,8-11,13H2,1H3,(H,24,25)(H,26,31)/t21-/m0/s1