1-[1-[4-(3-nitrophenyl)phenoxy]-4-pyridin-4-yl-butan-2-yl]piperidin-2-one

Systemtic Name: 1-[1-[4-(3-nitrophenyl)phenoxy]-4-pyridin-4-yl-butan-2-yl]piperidin-2-one Openeye Name: 1-[1-[[4-(3-nitrophenyl)phenoxy]methyl]-3-(4-pyridyl)propyl]piperidin-2-one CAS Name: 1-[1-[4-(3-nitrophenyl)phenoxy]-4-pyridin-4-ylbutan-2-yl]-2-piperidinone IUPAC Name: 1-[1-[4-(3-nitrophenyl)phenoxy]-4-pyridin-4-ylbutan-2-yl]piperidin-2-one Traditional Name: 1-[1-[[4-(3-nitrophenyl)phenoxy]methyl]-3-(4-pyridyl)propyl]-2-piperidone Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C1)C(CCC2=CC=NC=C2)COC3=CC=C(C=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C(=O)C1)C(CCC2=CC=NC=C2)COC3=CC=C(C=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H27N3O4/c30-26-6-1-2-17-28(26)24(10-7-20-13-15-27-16-14-20)19-33-25-11-8-21(9-12-25)22-4-3-5-23(18-22)29(31)32/h3-5,8-9,11-16,18,24H,1-2,6-7,10,17,19H2