N-[1-(2-azanylethyl)piperidin-4-yl]-1-[(6-methylpyridin-2-yl)methyl]-5-nitro-benzimidazol-2-amine

Systemtic Name: N-[1-(2-azanylethyl)piperidin-4-yl]-1-[(6-methylpyridin-2-yl)methyl]-5-nitro-benzimidazol-2-amine Openeye Name: N-[1-(2-aminoethyl)-4-piperidyl]-1-[(6-methyl-2-pyridyl)methyl]-5-nitro-benzimidazol-2-amine CAS Name: N-[1-(2-aminoethyl)-4-piperidinyl]-1-[(6-methyl-2-pyridinyl)methyl]-5-nitro-2-benzimidazolamine IUPAC Name: N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(6-methylpyridin-2-yl)methyl]-5-nitrobenzimidazol-2-amine Traditional Name: [1-(2-aminoethyl)-4-piperidyl]-[1-[(6-methyl-2-pyridyl)methyl]-5-nitro-benzimidazol-2-yl]amine Formula: C21H27N7O2 MolecularWeight: 409.48478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N7O2/c1-15-3-2-4-17(23-15)14-27-20-6-5-18(28(29)30)13-19(20)25-21(27)24-16-7-10-26(11-8-16)12-9-22/h2-6,13,16H,7-12,14,22H2,1H3,(H,24,25)