3-[5-(4-chlorophenyl)furan-2-yl]-1-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: 3-[5-(4-chlorophenyl)furan-2-yl]-1-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: 3-[5-(4-chlorophenyl)-2-furyl]-1-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazin-1-yl]prop-2-en-1-one CAS Name: 3-[5-(4-chlorophenyl)-2-furanyl]-1-[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: 3-[5-(4-chlorophenyl)furan-2-yl]-1-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: 3-[5-(4-chlorophenyl)-2-furyl]-1-[4-(4-nitro-3-piperidino-phenyl)piperazino]prop-2-en-1-one Formula: C28H29ClN4O4 MolecularWeight: 521.00726

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C=CC4=CC=C(O4)C5=CC=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C=CC4=CC=C(O4)C5=CC=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C28H29ClN4O4/c29-22-6-4-21(5-7-22)27-12-9-24(37-27)10-13-28(34)32-18-16-30(17-19-32)23-8-11-25(33(35)36)26(20-23)31-14-2-1-3-15-31/h4-13,20H,1-3,14-19H2