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

Systemtic Name: N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]-3H-benzimidazole-5-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3H-benzimidazole-5-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]-3H-benzimidazole-5-carboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-3H-benzimidazole-5-carboxamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-(4-phenylpiperazino)ethyl]-3H-benzimidazole-5-carboxamide Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O3/c27-13-19(24-20(28)15-6-7-17-18(12-15)23-14-22-17)21(29)26-10-8-25(9-11-26)16-4-2-1-3-5-16/h1-7,12,14,19,27H,8-11,13H2,(H,22,23)(H,24,28)/t19-/m0/s1