4-nitro-2-[3-[4-nitro-3-phenyl-5-[(phenylmethyl)amino]pyrazol-1-yl]propyl]-5-phenyl-N-(phenylmethyl)pyrazol-3-amine

Systemtic Name: 4-nitro-2-[3-[4-nitro-3-phenyl-5-[(phenylmethyl)amino]pyrazol-1-yl]propyl]-5-phenyl-N-(phenylmethyl)pyrazol-3-amine Openeye Name: N-benzyl-2-[3-[5-(benzylamino)-4-nitro-3-phenyl-pyrazol-1-yl]propyl]-4-nitro-5-phenyl-pyrazol-3-amine CAS Name: 4-nitro-2-[3-[4-nitro-3-phenyl-5-[(phenylmethyl)amino]-1-pyrazolyl]propyl]-5-phenyl-N-(phenylmethyl)-3-pyrazolamine IUPAC Name: N-benzyl-2-[3-[5-(benzylamino)-4-nitro-3-phenylpyrazol-1-yl]propyl]-4-nitro-5-phenylpyrazol-3-amine Traditional Name: benzyl-[2-[3-[5-(benzylamino)-4-nitro-3-phenyl-pyrazol-1-yl]propyl]-4-nitro-5-phenyl-pyrazol-3-yl]amine Formula: C35H32N8O4 MolecularWeight: 628.67978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=NN2CCCN3C(=C(C(=N3)C4=CC=CC=C4)[N+](=O)[O-])NCC5=CC=CC=C5)C6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=NN2CCCN3C(=C(C(=N3)C4=CC=CC=C4)[N+](=O)[O-])NCC5=CC=CC=C5)C6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C35H32N8O4/c44-42(45)32-30(28-18-9-3-10-19-28)38-40(34(32)36-24-26-14-5-1-6-15-26)22-13-23-41-35(37-25-27-16-7-2-8-17-27)33(43(46)47)31(39-41)29-20-11-4-12-21-29/h1-12,14-21,36-37H,13,22-25H2