(1S)-1-[1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]propan-1-amine

Systemtic Name: (1S)-1-[1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]propan-1-amine Openeye Name: (1S)-1-[1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]propan-1-amine CAS Name: (1S)-1-[1-[(4-nitrophenyl)methyl]-2-benzimidazolyl]-1-propanamine IUPAC Name: (1S)-1-[1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]propan-1-amine Traditional Name: [(1S)-1-[1-(4-nitrobenzyl)benzimidazol-2-yl]propyl]amine Formula: C17H18N4O2 MolecularWeight: 310.35042

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

CC[C@@H](C1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C17H18N4O2/c1-2-14(18)17-19-15-5-3-4-6-16(15)20(17)11-12-7-9-13(10-8-12)21(22)23/h3-10,14H,2,11,18H2,1H3/t14-/m0/s1