1-[4-[3-(benzimidazol-1-yl)propylamino]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[3-(benzimidazol-1-yl)propylamino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[3-(benzimidazol-1-yl)propylamino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[3-(1-benzimidazolyl)propylamino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[3-(benzimidazol-1-yl)propylamino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[3-(benzimidazol-1-yl)propylamino]-3-nitro-phenyl]ethanone Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NCCCN2C=NC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NCCCN2C=NC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O3/c1-13(23)14-7-8-16(18(11-14)22(24)25)19-9-4-10-21-12-20-15-5-2-3-6-17(15)21/h2-3,5-8,11-12,19H,4,9-10H2,1H3