(2Z)-2-(6-nitro-1,2-dihydroindazol-3-ylidene)-5-(4-propan-2-ylpiperazin-1-yl)benzimidazole

Systemtic Name: (2Z)-2-(6-nitro-1,2-dihydroindazol-3-ylidene)-5-(4-propan-2-ylpiperazin-1-yl)benzimidazole Openeye Name: (2Z)-5-(4-isopropylpiperazin-1-yl)-2-(6-nitro-1,2-dihydroindazol-3-ylidene)benzimidazole CAS Name: (2Z)-2-(6-nitro-1,2-dihydroindazol-3-ylidene)-5-(4-propan-2-yl-1-piperazinyl)benzimidazole IUPAC Name: (2Z)-2-(6-nitro-1,2-dihydroindazol-3-ylidene)-5-(4-propan-2-ylpiperazin-1-yl)benzimidazole Traditional Name: (2Z)-5-(4-isopropylpiperazino)-2-(6-nitroindazolin-3-ylidene)benzimidazole Formula: C21H23N7O2 MolecularWeight: 405.45302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C2=CC3=NC(=C4C5=C(C=C(C=C5)[N+](=O)[O-])NN4)N=C3C=C2

Isomeric SMILES

CC(C)N1CCN(CC1)C2=CC3=N/C(=C\4/C5=C(C=C(C=C5)[N+](=O)[O-])NN4)/N=C3C=C2

InChI

InChI=1S/C21H23N7O2/c1-13(2)26-7-9-27(10-8-26)14-4-6-17-19(11-14)23-21(22-17)20-16-5-3-15(28(29)30)12-18(16)24-25-20/h3-6,11-13,24-25H,7-10H2,1-2H3/b21-20-