(4-butoxyphenyl)-[4-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]piperazin-1-yl]methanone

Systemtic Name: (4-butoxyphenyl)-[4-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: (4-butoxyphenyl)-[4-[3-(2-furylmethylamino)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: (4-butoxyphenyl)-[4-[3-(2-furanylmethylamino)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (4-butoxyphenyl)-[4-[3-(furan-2-ylmethylamino)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: (4-butoxyphenyl)-[4-[3-(2-furfurylamino)-4-nitro-phenyl]piperazino]methanone Formula: C26H30N4O5 MolecularWeight: 478.5402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CO4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CO4

InChI

InChI=1S/C26H30N4O5/c1-2-3-16-34-22-9-6-20(7-10-22)26(31)29-14-12-28(13-15-29)21-8-11-25(30(32)33)24(18-21)27-19-23-5-4-17-35-23/h4-11,17-18,27H,2-3,12-16,19H2,1H3