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

Systemtic Name: [4-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone Openeye Name: [4-[3-(2-furylmethylamino)-4-nitro-phenyl]piperazin-1-yl]-(4-isopropylphenyl)methanone CAS Name: [4-[3-(2-furanylmethylamino)-4-nitrophenyl]-1-piperazinyl]-(4-propan-2-ylphenyl)methanone IUPAC Name: [4-[3-(furan-2-ylmethylamino)-4-nitrophenyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone Traditional Name: [4-[3-(2-furfurylamino)-4-nitro-phenyl]piperazino]-p-cumenyl-methanone Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H28N4O4/c1-18(2)19-5-7-20(8-6-19)25(30)28-13-11-27(12-14-28)21-9-10-24(29(31)32)23(16-21)26-17-22-4-3-15-33-22/h3-10,15-16,18,26H,11-14,17H2,1-2H3