2-[4-[[1-[(6-methylpyridin-2-yl)methyl]-6-nitro-benzimidazol-2-yl]amino]piperidin-1-yl]ethylcarbamic acid

Systemtic Name: 2-[4-[[1-[(6-methylpyridin-2-yl)methyl]-6-nitro-benzimidazol-2-yl]amino]piperidin-1-yl]ethylcarbamic acid Openeye Name: 2-[4-[[1-[(6-methyl-2-pyridyl)methyl]-6-nitro-benzimidazol-2-yl]amino]-1-piperidyl]ethylcarbamic acid CAS Name: 2-[4-[[1-[(6-methyl-2-pyridinyl)methyl]-6-nitro-2-benzimidazolyl]amino]-1-piperidinyl]ethylcarbamic acid IUPAC Name: 2-[4-[[1-[(6-methylpyridin-2-yl)methyl]-6-nitrobenzimidazol-2-yl]amino]piperidin-1-yl]ethylcarbamic acid Traditional Name: 2-[4-[[1-[(6-methyl-2-pyridyl)methyl]-6-nitro-benzimidazol-2-yl]amino]piperidino]ethylcarbamic acid Formula: C22H27N7O4 MolecularWeight: 453.49428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])N=C2NC4CCN(CC4)CCNC(=O)O

Isomeric SMILES

CC1=NC(=CC=C1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])N=C2NC4CCN(CC4)CCNC(=O)O

InChI

InChI=1S/C22H27N7O4/c1-15-3-2-4-17(24-15)14-28-20-13-18(29(32)33)5-6-19(20)26-21(28)25-16-7-10-27(11-8-16)12-9-23-22(30)31/h2-6,13,16,23H,7-12,14H2,1H3,(H,25,26)(H,30,31)