N',N'-diethyl-N-[(2Z)-2-(5-nitro-1,2-dihydroindazol-3-ylidene)benzimidazol-5-yl]propane-1,3-diamine

Systemtic Name: N',N'-diethyl-N-[(2Z)-2-(5-nitro-1,2-dihydroindazol-3-ylidene)benzimidazol-5-yl]propane-1,3-diamine Openeye Name: N',N'-diethyl-N-[(2Z)-2-(5-nitro-1,2-dihydroindazol-3-ylidene)benzimidazol-5-yl]propane-1,3-diamine CAS Name: N',N'-diethyl-N-[(2Z)-2-(5-nitro-1,2-dihydroindazol-3-ylidene)-5-benzimidazolyl]propane-1,3-diamine IUPAC Name: N',N'-diethyl-N-[(2Z)-2-(5-nitro-1,2-dihydroindazol-3-ylidene)benzimidazol-5-yl]propane-1,3-diamine Traditional Name: diethyl-[3-[[(2Z)-2-(5-nitroindazolin-3-ylidene)benzimidazol-5-yl]amino]propyl]amine Formula: C21H25N7O2 MolecularWeight: 407.4689

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC1=CC2=NC(=C3C4=C(C=CC(=C4)[N+](=O)[O-])NN3)N=C2C=C1

Isomeric SMILES

CCN(CC)CCCNC1=CC2=N/C(=C\3/C4=C(C=CC(=C4)[N+](=O)[O-])NN3)/N=C2C=C1

InChI

InChI=1S/C21H25N7O2/c1-3-27(4-2)11-5-10-22-14-6-8-18-19(12-14)24-21(23-18)20-16-13-15(28(29)30)7-9-17(16)25-26-20/h6-9,12-13,22,25-26H,3-5,10-11H2,1-2H3/b21-20-