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

Systemtic Name: (4-tert-butylphenyl)-[4-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[4-[3-(2-furylmethylamino)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[4-[3-(2-furanylmethylamino)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (4-tert-butylphenyl)-[4-[3-(furan-2-ylmethylamino)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[4-[3-(2-furfurylamino)-4-nitro-phenyl]piperazino]methanone Formula: C26H30N4O4 MolecularWeight: 462.5408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O4/c1-26(2,3)20-8-6-19(7-9-20)25(31)29-14-12-28(13-15-29)21-10-11-24(30(32)33)23(17-21)27-18-22-5-4-16-34-22/h4-11,16-17,27H,12-15,18H2,1-3H3