1-[[4-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)imino-indol-2-one

Systemtic Name: 1-[[4-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)imino-indol-2-one Openeye Name: 1-[[4-[3-(2-furylmethylamino)-4-nitro-phenyl]piperazin-1-yl]methyl]-3-(p-tolylimino)indolin-2-one CAS Name: 1-[[4-[3-(2-furanylmethylamino)-4-nitrophenyl]-1-piperazinyl]methyl]-3-(4-methylphenyl)imino-2-indolone IUPAC Name: 1-[[4-[3-(furan-2-ylmethylamino)-4-nitrophenyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)iminoindol-2-one Traditional Name: 1-[[4-[3-(2-furfurylamino)-4-nitro-phenyl]piperazino]methyl]-3-(p-tolylimino)oxindole Formula: C31H30N6O4 MolecularWeight: 550.6077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)CN4CCN(CC4)C5=CC(=C(C=C5)[N+](=O)[O-])NCC6=CC=CO6

Isomeric SMILES

CC1=CC=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)CN4CCN(CC4)C5=CC(=C(C=C5)[N+](=O)[O-])NCC6=CC=CO6

InChI

InChI=1S/C31H30N6O4/c1-22-8-10-23(11-9-22)33-30-26-6-2-3-7-28(26)36(31(30)38)21-34-14-16-35(17-15-34)24-12-13-29(37(39)40)27(19-24)32-20-25-5-4-18-41-25/h2-13,18-19,32H,14-17,20-21H2,1H3