3-[3-bromanyl-1-[3-(4-hydroxyphenyl)-2-(piperidin-1-ylamino)propanoyl]-2-(oxidanylidenemethylidene)-4-pyridin-4-yl-piperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-bromanyl-1-[3-(4-hydroxyphenyl)-2-(piperidin-1-ylamino)propanoyl]-2-(oxidanylidenemethylidene)-4-pyridin-4-yl-piperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[3-bromo-1-[3-(4-hydroxyphenyl)-2-(1-piperidylamino)propanoyl]-2-(oxomethylene)-4-(4-pyridyl)-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 3-[3-bromo-1-[3-(4-hydroxyphenyl)-1-oxo-2-(1-piperidinylamino)propyl]-2-(oxomethylidene)-4-pyridin-4-yl-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-bromo-1-[3-(4-hydroxyphenyl)-2-(piperidin-1-ylamino)propanoyl]-2-(oxomethylidene)-4-pyridin-4-ylpiperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[3-bromo-1-[3-(4-hydroxyphenyl)-2-(piperidinoamino)propanoyl]-2-(ketomethylene)-4-(4-pyridyl)-4-piperidyl]-1H-benzimidazol-2-one Formula: C32H33BrN6O4 MolecularWeight: 645.54622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)NC(CC2=CC=C(C=C2)O)C(=O)N3CCC(C(C3=C=O)Br)(C4=CC=NC=C4)N5C6=CC=CC=C6NC5=O

Isomeric SMILES

C1CCN(CC1)NC(CC2=CC=C(C=C2)O)C(=O)N3CCC(C(C3=C=O)Br)(C4=CC=NC=C4)N5C6=CC=CC=C6NC5=O

InChI

InChI=1S/C32H33BrN6O4/c33-29-28(21-40)38(30(42)26(36-37-17-4-1-5-18-37)20-22-8-10-24(41)11-9-22)19-14-32(29,23-12-15-34-16-13-23)39-27-7-3-2-6-25(27)35-31(39)43/h2-3,6-13,15-16,26,29,36,41H,1,4-5,14,17-20H2,(H,35,43)