(5S,6R)-4-(3-bromophenyl)-6-(4-hydroxyphenyl)-5-nitro-1-(pyridin-4-ylmethyl)piperidin-2-one

Systemtic Name: (5S,6R)-4-(3-bromophenyl)-6-(4-hydroxyphenyl)-5-nitro-1-(pyridin-4-ylmethyl)piperidin-2-one Openeye Name: (5S,6R)-4-(3-bromophenyl)-6-(4-hydroxyphenyl)-5-nitro-1-(4-pyridylmethyl)piperidin-2-one CAS Name: (5S,6R)-4-(3-bromophenyl)-6-(4-hydroxyphenyl)-5-nitro-1-(pyridin-4-ylmethyl)-2-piperidinone IUPAC Name: (5S,6R)-4-(3-bromophenyl)-6-(4-hydroxyphenyl)-5-nitro-1-(pyridin-4-ylmethyl)piperidin-2-one Traditional Name: (5S,6R)-4-(3-bromophenyl)-6-(4-hydroxyphenyl)-5-nitro-1-(4-pyridylmethyl)-2-piperidone Formula: C23H20BrN3O4 MolecularWeight: 482.3266

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(N(C1=O)CC2=CC=NC=C2)C3=CC=C(C=C3)O)[N+](=O)[O-])C4=CC(=CC=C4)Br

Isomeric SMILES

C1C([C@@H]([C@H](N(C1=O)CC2=CC=NC=C2)C3=CC=C(C=C3)O)[N+](=O)[O-])C4=CC(=CC=C4)Br

InChI

InChI=1S/C23H20BrN3O4/c24-18-3-1-2-17(12-18)20-13-21(29)26(14-15-8-10-25-11-9-15)22(23(20)27(30)31)16-4-6-19(28)7-5-16/h1-12,20,22-23,28H,13-14H2/t20?,22-,23+/m1/s1