[4-[2-nitro-3-(4-propylpiperidin-1-yl)phenoxy]phenyl]-phenyl-methanone

Systemtic Name: [4-[2-nitro-3-(4-propylpiperidin-1-yl)phenoxy]phenyl]-phenyl-methanone Openeye Name: [4-[2-nitro-3-(4-propyl-1-piperidyl)phenoxy]phenyl]-phenyl-methanone CAS Name: [4-[2-nitro-3-(4-propyl-1-piperidinyl)phenoxy]phenyl]-phenylmethanone IUPAC Name: [4-[2-nitro-3-(4-propylpiperidin-1-yl)phenoxy]phenyl]-phenylmethanone Traditional Name: [4-[2-nitro-3-(4-propylpiperidino)phenoxy]phenyl]-phenyl-methanone Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCN(CC1)C2=C(C(=CC=C2)OC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCC1CCN(CC1)C2=C(C(=CC=C2)OC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H28N2O4/c1-2-7-20-16-18-28(19-17-20)24-10-6-11-25(26(24)29(31)32)33-23-14-12-22(13-15-23)27(30)21-8-4-3-5-9-21/h3-6,8-15,20H,2,7,16-19H2,1H3