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

Systemtic Name: (3-chloranyl-4-methyl-phenyl)-[4-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: (3-chloro-4-methyl-phenyl)-[4-[3-(2-furylmethylamino)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: (3-chloro-4-methylphenyl)-[4-[3-(2-furanylmethylamino)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (3-chloro-4-methylphenyl)-[4-[3-(furan-2-ylmethylamino)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: (3-chloro-4-methyl-phenyl)-[4-[3-(2-furfurylamino)-4-nitro-phenyl]piperazino]methanone Formula: C23H23ClN4O4 MolecularWeight: 454.90612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CO4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CO4)Cl

InChI

InChI=1S/C23H23ClN4O4/c1-16-4-5-17(13-20(16)24)23(29)27-10-8-26(9-11-27)18-6-7-22(28(30)31)21(14-18)25-15-19-3-2-12-32-19/h2-7,12-14,25H,8-11,15H2,1H3