2-azanyl-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one

Systemtic Name: 2-azanyl-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one Openeye Name: 2-amino-3-(3,5-dibromo-4-hydroxy-phenyl)-1-[4-(4-pyridyl)-1-piperidyl]propan-1-one CAS Name: 2-amino-3-(3,5-dibromo-4-hydroxyphenyl)-1-(4-pyridin-4-yl-1-piperidinyl)-1-propanone IUPAC Name: 2-amino-3-(3,5-dibromo-4-hydroxyphenyl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one Traditional Name: 2-amino-3-(3,5-dibromo-4-hydroxy-phenyl)-1-[4-(4-pyridyl)piperidino]propan-1-one Formula: C19H21Br2N3O2 MolecularWeight: 483.19694

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=NC=C2)C(=O)C(CC3=CC(=C(C(=C3)Br)O)Br)N

Isomeric SMILES

C1CN(CCC1C2=CC=NC=C2)C(=O)C(CC3=CC(=C(C(=C3)Br)O)Br)N

InChI

InChI=1S/C19H21Br2N3O2/c20-15-9-12(10-16(21)18(15)25)11-17(22)19(26)24-7-3-14(4-8-24)13-1-5-23-6-2-13/h1-2,5-6,9-10,14,17,25H,3-4,7-8,11,22H2