1-[4-[[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]amino]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]amino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]amino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]amino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[[2-(4-methoxyphenyl)-2-piperidino-ethyl]amino]-3-nitro-phenyl]ethanone Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NCC(C2=CC=C(C=C2)OC)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NCC(C2=CC=C(C=C2)OC)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O4/c1-16(26)18-8-11-20(21(14-18)25(27)28)23-15-22(24-12-4-3-5-13-24)17-6-9-19(29-2)10-7-17/h6-11,14,22-23H,3-5,12-13,15H2,1-2H3