3-[2,5-bis(bromanyl)-4-(2-oxidanylidene-3-piperidin-1-yl-benzimidazol-1-yl)phenyl]-2-isocyanato-propanal

Systemtic Name: 3-[2,5-bis(bromanyl)-4-(2-oxidanylidene-3-piperidin-1-yl-benzimidazol-1-yl)phenyl]-2-isocyanato-propanal Openeye Name: 3-[2,5-dibromo-4-[2-oxo-3-(1-piperidyl)benzimidazol-1-yl]phenyl]-2-isocyanato-propanal CAS Name: 3-[2,5-dibromo-4-[2-oxo-3-(1-piperidinyl)-1-benzimidazolyl]phenyl]-2-isocyanatopropanal IUPAC Name: 3-[2,5-dibromo-4-(2-oxo-3-piperidin-1-ylbenzimidazol-1-yl)phenyl]-2-isocyanatopropanal Traditional Name: 3-[2,5-dibromo-4-(2-keto-3-piperidino-benzimidazol-1-yl)phenyl]-2-isocyanato-propionaldehyde Formula: C22H20Br2N4O3 MolecularWeight: 548.2272

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)N2C3=CC=CC=C3N(C2=O)C4=C(C=C(C(=C4)Br)CC(C=O)N=C=O)Br

Isomeric SMILES

C1CCN(CC1)N2C3=CC=CC=C3N(C2=O)C4=C(C=C(C(=C4)Br)CC(C=O)N=C=O)Br

InChI

InChI=1S/C22H20Br2N4O3/c23-17-12-21(18(24)11-15(17)10-16(13-29)25-14-30)27-19-6-2-3-7-20(19)28(22(27)31)26-8-4-1-5-9-26/h2-3,6-7,11-13,16H,1,4-5,8-10H2