3-[(E)-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]ethenyl]-5-nitro-6-pyrrolidin-1-yl-1H-indazole

Systemtic Name: 3-[(E)-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]ethenyl]-5-nitro-6-pyrrolidin-1-yl-1H-indazole Openeye Name: 3-[(E)-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]vinyl]-5-nitro-6-pyrrolidin-1-yl-1H-indazole CAS Name: 3-[(E)-2-[3-[(4-methyl-1-piperazinyl)methyl]phenyl]ethenyl]-5-nitro-6-(1-pyrrolidinyl)-1H-indazole IUPAC Name: 3-[(E)-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]ethenyl]-5-nitro-6-pyrrolidin-1-yl-1H-indazole Traditional Name: 3-[(E)-2-[3-[(4-methylpiperazino)methyl]phenyl]vinyl]-5-nitro-6-pyrrolidino-1H-indazole Formula: C25H30N6O2 MolecularWeight: 446.5447

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=CC(=C2)C=CC3=NNC4=CC(=C(C=C43)[N+](=O)[O-])N5CCCC5

Isomeric SMILES

CN1CCN(CC1)CC2=CC=CC(=C2)/C=C/C3=NNC4=CC(=C(C=C43)[N+](=O)[O-])N5CCCC5

InChI

InChI=1S/C25H30N6O2/c1-28-11-13-29(14-12-28)18-20-6-4-5-19(15-20)7-8-22-21-16-25(31(32)33)24(17-23(21)27-26-22)30-9-2-3-10-30/h4-8,15-17H,2-3,9-14,18H2,1H3,(H,26,27)/b8-7+