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名称: 1,3-bis-(5-benzylamino-3-bromo-4-nitropyrazol-1-yl)propane

IUPAC: N-benzyl-1-[3-[5-(benzylamino)-3-bromo-4-nitropyrazol-1-yl]propyl]-3-bromo-4-nitropyrazol-5-amine

SMILES: O=[N+]([O-])c1c(Br)nn(CCCn2nc(Br)c([N+](=O)[O-])c2NCc2ccccc2)c1NCc1ccccc1

Canonical SMILES: C1=CC=C(C=C1)CNC2=C(C(=NN2CCCN3C(=C(C(=N3)Br)[N+](=O)[O-])NCC4=CC=CC=C4)Br)[N+](=O)[O-]

分子式: C23H22Br2N8O4

分子量: 634.30

InChIKey: GBOPISBPSXYMCZ-UHFFFAOYSA-N

InChI: InChI=1S/C23H22Br2N8O4/c24-20-18(32(34)35)22(26-14-16-8-3-1-4-9-16)30(28-20)12-7-13-31-23(19(33(36)37)21(25)29-31)27-15-17-10-5-2-6-11-17/h1-6,8-11,26-27H,7,12-15H2

PubChem CID: 13008380 →

同义词

SCHEMBL6755855GBOPISBPSXYMCZ-UHFFFAOYSA-N1,3-bis-(5-benzylamino-3-bromo-4-nitropyrazol-1-yl)-propane1,3-bis-(5-benzylamino-3-bromo-4-nitropyrazol-1-yl)propane

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