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

Systemtic Name: [4-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]piperazin-1-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: [4-[3-(2-furylmethylamino)-4-nitro-phenyl]piperazin-1-yl]-(3-isopropoxyphenyl)methanone CAS Name: [4-[3-(2-furanylmethylamino)-4-nitrophenyl]-1-piperazinyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: [4-[3-(furan-2-ylmethylamino)-4-nitrophenyl]piperazin-1-yl]-(3-propan-2-yloxyphenyl)methanone Traditional Name: [4-[3-(2-furfurylamino)-4-nitro-phenyl]piperazino]-(3-isopropoxyphenyl)methanone Formula: C25H28N4O5 MolecularWeight: 464.51362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CO4

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CO4

InChI

InChI=1S/C25H28N4O5/c1-18(2)34-21-6-3-5-19(15-21)25(30)28-12-10-27(11-13-28)20-8-9-24(29(31)32)23(16-20)26-17-22-7-4-14-33-22/h3-9,14-16,18,26H,10-13,17H2,1-2H3