2-[4-[2-(4-nitrophenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole-4-carboxamide

Systemtic Name: 2-[4-[2-(4-nitrophenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole-4-carboxamide Openeye Name: 2-[4-[2-(4-nitrophenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole-4-carboxamide CAS Name: 2-[4-[2-(4-nitrophenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-[4-[2-(4-nitrophenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole-4-carboxamide Traditional Name: 2-[4-[2-(4-nitrophenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole-4-carboxamide Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC3=C(C=CC=C3N2)C(=O)N)CCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C2=NC3=C(C=CC=C3N2)C(=O)N)CCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O3/c22-20(28)17-3-1-4-18-19(17)24-21(23-18)26-11-2-10-25(13-14-26)12-9-15-5-7-16(8-6-15)27(29)30/h1,3-8H,2,9-14H2,(H2,22,28)(H,23,24)