1-[(2S)-2-ethylpiperidin-1-yl]-3-(6-nitro-1H-benzimidazol-2-yl)propan-1-one

Systemtic Name: 1-[(2S)-2-ethylpiperidin-1-yl]-3-(6-nitro-1H-benzimidazol-2-yl)propan-1-one Openeye Name: 1-[(2S)-2-ethyl-1-piperidyl]-3-(6-nitro-1H-benzimidazol-2-yl)propan-1-one CAS Name: 1-[(2S)-2-ethyl-1-piperidinyl]-3-(6-nitro-1H-benzimidazol-2-yl)-1-propanone IUPAC Name: 1-[(2S)-2-ethylpiperidin-1-yl]-3-(6-nitro-1H-benzimidazol-2-yl)propan-1-one Traditional Name: 1-[(2S)-2-ethylpiperidino]-3-(6-nitro-1H-benzimidazol-2-yl)propan-1-one Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)CCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O3/c1-2-12-5-3-4-10-20(12)17(22)9-8-16-18-14-7-6-13(21(23)24)11-15(14)19-16/h6-7,11-12H,2-5,8-10H2,1H3,(H,18,19)/t12-/m0/s1