N-[1-(2-azanylethyl)piperidin-4-yl]-1-[(4-nitrophenyl)methyl]benzimidazol-2-amine

Systemtic Name: N-[1-(2-azanylethyl)piperidin-4-yl]-1-[(4-nitrophenyl)methyl]benzimidazol-2-amine Openeye Name: N-[1-(2-aminoethyl)-4-piperidyl]-1-[(4-nitrophenyl)methyl]benzimidazol-2-amine CAS Name: N-[1-(2-aminoethyl)-4-piperidinyl]-1-[(4-nitrophenyl)methyl]-2-benzimidazolamine IUPAC Name: N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(4-nitrophenyl)methyl]benzimidazol-2-amine Traditional Name: [1-(2-aminoethyl)-4-piperidyl]-[1-(4-nitrobenzyl)benzimidazol-2-yl]amine Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)[N+](=O)[O-])CCN

Isomeric SMILES

C1CN(CCC1NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)[N+](=O)[O-])CCN

InChI

InChI=1S/C21H26N6O2/c22-11-14-25-12-9-17(10-13-25)23-21-24-19-3-1-2-4-20(19)26(21)15-16-5-7-18(8-6-16)27(28)29/h1-8,17H,9-15,22H2,(H,23,24)