(2Z)-2-(5-nitro-1,2-dihydroindazol-3-ylidene)-N-(3-pyrrolidin-1-ylpropyl)benzimidazol-5-amine

Systemtic Name: (2Z)-2-(5-nitro-1,2-dihydroindazol-3-ylidene)-N-(3-pyrrolidin-1-ylpropyl)benzimidazol-5-amine Openeye Name: (2Z)-2-(5-nitro-1,2-dihydroindazol-3-ylidene)-N-(3-pyrrolidin-1-ylpropyl)benzimidazol-5-amine CAS Name: (2Z)-2-(5-nitro-1,2-dihydroindazol-3-ylidene)-N-[3-(1-pyrrolidinyl)propyl]-5-benzimidazolamine IUPAC Name: (2Z)-2-(5-nitro-1,2-dihydroindazol-3-ylidene)-N-(3-pyrrolidin-1-ylpropyl)benzimidazol-5-amine Traditional Name: [(2Z)-2-(5-nitroindazolin-3-ylidene)benzimidazol-5-yl]-(3-pyrrolidinopropyl)amine Formula: C21H23N7O2 MolecularWeight: 405.45302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC2=CC3=NC(=C4C5=C(C=CC(=C5)[N+](=O)[O-])NN4)N=C3C=C2

Isomeric SMILES

C1CCN(C1)CCCNC2=CC3=N/C(=C\4/C5=C(C=CC(=C5)[N+](=O)[O-])NN4)/N=C3C=C2

InChI

InChI=1S/C21H23N7O2/c29-28(30)15-5-7-17-16(13-15)20(26-25-17)21-23-18-6-4-14(12-19(18)24-21)22-8-3-11-27-9-1-2-10-27/h4-7,12-13,22,25-26H,1-3,8-11H2/b21-20-