N-[(E)-[2-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-4-nitro-benzamide

Systemtic Name: N-[(E)-[2-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-4-nitro-benzamide Openeye Name: N-[(E)-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-4-nitro-benzamide CAS Name: N-[(E)-[2-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-4-nitrobenzamide IUPAC Name: N-[(E)-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-4-nitrobenzamide Traditional Name: N-[(E)-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-4-nitro-benzamide Formula: C27H26FN5O5 MolecularWeight: 519.524243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CCC2)C(=O)N4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])/CCC2)C(=O)N4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C27H26FN5O5/c1-17-24-21(29-30-26(34)18-9-11-19(12-10-18)33(36)37)6-4-8-23(24)38-25(17)27(35)32-15-13-31(14-16-32)22-7-3-2-5-20(22)28/h2-3,5,7,9-12H,4,6,8,13-16H2,1H3,(H,30,34)/b29-21+