4-[4-[5-nitro-6-(4-propylpiperidin-1-yl)pyridin-2-yl]oxyphenyl]butan-2-one

Systemtic Name: 4-[4-[5-nitro-6-(4-propylpiperidin-1-yl)pyridin-2-yl]oxyphenyl]butan-2-one Openeye Name: 4-[4-[[5-nitro-6-(4-propyl-1-piperidyl)-2-pyridyl]oxy]phenyl]butan-2-one CAS Name: 4-[4-[[5-nitro-6-(4-propyl-1-piperidinyl)-2-pyridinyl]oxy]phenyl]-2-butanone IUPAC Name: 4-[4-[5-nitro-6-(4-propylpiperidin-1-yl)pyridin-2-yl]oxyphenyl]butan-2-one Traditional Name: 4-[4-[[5-nitro-6-(4-propylpiperidino)-2-pyridyl]oxy]phenyl]butan-2-one Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCN(CC1)C2=C(C=CC(=N2)OC3=CC=C(C=C3)CCC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCC1CCN(CC1)C2=C(C=CC(=N2)OC3=CC=C(C=C3)CCC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O4/c1-3-4-18-13-15-25(16-14-18)23-21(26(28)29)11-12-22(24-23)30-20-9-7-19(8-10-20)6-5-17(2)27/h7-12,18H,3-6,13-16H2,1-2H3