(1H-benzimidazol-2-ylamino) N-[(6-methylpyridin-2-yl)methyl]-N-[1-(2-nitropiperidin-1-yl)ethyl]carbamate

Systemtic Name: (1H-benzimidazol-2-ylamino) N-[(6-methylpyridin-2-yl)methyl]-N-[1-(2-nitropiperidin-1-yl)ethyl]carbamate Openeye Name: (1H-benzimidazol-2-ylamino) N-[(6-methyl-2-pyridyl)methyl]-N-[1-(2-nitro-1-piperidyl)ethyl]carbamate CAS Name: N-[(6-methyl-2-pyridinyl)methyl]-N-[1-(2-nitro-1-piperidinyl)ethyl]carbamic acid (1H-benzimidazol-2-ylamino) ester IUPAC Name: (1H-benzimidazol-2-ylamino) N-[(6-methylpyridin-2-yl)methyl]-N-[1-(2-nitropiperidin-1-yl)ethyl]carbamate Traditional Name: N-[(6-methyl-2-pyridyl)methyl]-N-[1-(2-nitropiperidino)ethyl]carbamic acid (1H-benzimidazol-2-ylamino) ester Formula: C22H27N7O4 MolecularWeight: 453.49428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN(C(C)N2CCCCC2[N+](=O)[O-])C(=O)ONC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=NC(=CC=C1)CN(C(C)N2CCCCC2[N+](=O)[O-])C(=O)ONC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H27N7O4/c1-15-8-7-9-17(23-15)14-28(16(2)27-13-6-5-12-20(27)29(31)32)22(30)33-26-21-24-18-10-3-4-11-19(18)25-21/h3-4,7-11,16,20H,5-6,12-14H2,1-2H3,(H2,24,25,26)