[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(methylamino)-5-nitro-phenyl]methanone

Systemtic Name: [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(methylamino)-5-nitro-phenyl]methanone Openeye Name: [3-(1H-benzimidazol-2-yl)-1-piperidyl]-[2-(methylamino)-5-nitro-phenyl]methanone CAS Name: [3-(1H-benzimidazol-2-yl)-1-piperidinyl]-[2-(methylamino)-5-nitrophenyl]methanone IUPAC Name: [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(methylamino)-5-nitrophenyl]methanone Traditional Name: [3-(1H-benzimidazol-2-yl)piperidino]-[2-(methylamino)-5-nitro-phenyl]methanone Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H21N5O3/c1-21-16-9-8-14(25(27)28)11-15(16)20(26)24-10-4-5-13(12-24)19-22-17-6-2-3-7-18(17)23-19/h2-3,6-9,11,13,21H,4-5,10,12H2,1H3,(H,22,23)