[5-(3,4-dimethylphenyl)furan-2-yl]-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]methanone

Systemtic Name: [5-(3,4-dimethylphenyl)furan-2-yl]-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]methanone Openeye Name: [5-(3,4-dimethylphenyl)-2-furyl]-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazin-1-yl]methanone CAS Name: [5-(3,4-dimethylphenyl)-2-furanyl]-[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]methanone IUPAC Name: [5-(3,4-dimethylphenyl)furan-2-yl]-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]methanone Traditional Name: [5-(3,4-dimethylphenyl)-2-furyl]-[4-(4-nitro-3-piperidino-phenyl)piperazino]methanone Formula: C28H32N4O4 MolecularWeight: 488.57808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)N3CCN(CC3)C4=CC(=C(C=C4)[N+](=O)[O-])N5CCCCC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)N3CCN(CC3)C4=CC(=C(C=C4)[N+](=O)[O-])N5CCCCC5)C

InChI

InChI=1S/C28H32N4O4/c1-20-6-7-22(18-21(20)2)26-10-11-27(36-26)28(33)31-16-14-29(15-17-31)23-8-9-24(32(34)35)25(19-23)30-12-4-3-5-13-30/h6-11,18-19H,3-5,12-17H2,1-2H3