(E)-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(4-bromophenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(4-bromophenyl)prop-2-en-1-one Openeye Name: (E)-1-[3-(1H-benzimidazol-2-yl)-1-piperidyl]-3-(4-bromophenyl)prop-2-en-1-one CAS Name: (E)-1-[3-(1H-benzimidazol-2-yl)-1-piperidinyl]-3-(4-bromophenyl)-2-propen-1-one IUPAC Name: (E)-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(4-bromophenyl)prop-2-en-1-one Traditional Name: (E)-1-[3-(1H-benzimidazol-2-yl)piperidino]-3-(4-bromophenyl)prop-2-en-1-one Formula: C21H20BrN3O MolecularWeight: 410.307

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C=CC2=CC=C(C=C2)Br)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CC(CN(C1)C(=O)/C=C/C2=CC=C(C=C2)Br)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H20BrN3O/c22-17-10-7-15(8-11-17)9-12-20(26)25-13-3-4-16(14-25)21-23-18-5-1-2-6-19(18)24-21/h1-2,5-12,16H,3-4,13-14H2,(H,23,24)/b12-9+