[2-[4-[2-(4-nitrophenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazol-4-yl] carbamate

Systemtic Name: [2-[4-[2-(4-nitrophenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazol-4-yl] carbamate Openeye Name: [2-[4-[2-(4-nitrophenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazol-4-yl] carbamate CAS Name: carbamic acid [2-[4-[2-(4-nitrophenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazol-4-yl] ester IUPAC Name: [2-[4-[2-(4-nitrophenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazol-4-yl] carbamate Traditional Name: carbamic acid [2-[4-[2-(4-nitrophenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazol-4-yl] ester Formula: C21H24N6O4 MolecularWeight: 424.45306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC3=C(N2)C=CC=C3OC(=O)N)CCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C2=NC3=C(N2)C=CC=C3OC(=O)N)CCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O4/c22-20(28)31-18-4-1-3-17-19(18)24-21(23-17)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)