(E)-N,N-bis[2-[2-(5-nitro-3-phenylmethoxy-indazol-1-yl)ethoxy]ethyl]-5-phenyl-pent-4-en-1-amine

Systemtic Name: (E)-N,N-bis[2-[2-(5-nitro-3-phenylmethoxy-indazol-1-yl)ethoxy]ethyl]-5-phenyl-pent-4-en-1-amine Openeye Name: (E)-N,N-bis[2-[2-(3-benzyloxy-5-nitro-indazol-1-yl)ethoxy]ethyl]-5-phenyl-pent-4-en-1-amine CAS Name: (E)-N,N-bis[2-[2-(5-nitro-3-phenylmethoxy-1-indazolyl)ethoxy]ethyl]-5-phenyl-4-penten-1-amine IUPAC Name: (E)-N,N-bis[2-[2-(5-nitro-3-phenylmethoxyindazol-1-yl)ethoxy]ethyl]-5-phenylpent-4-en-1-amine Traditional Name: bis[2-[2-(3-benzoxy-5-nitro-indazol-1-yl)ethoxy]ethyl]-[(E)-5-phenylpent-4-enyl]amine Formula: C47H49N7O8 MolecularWeight: 839.93406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=NN(C3=C2C=C(C=C3)[N+](=O)[O-])CCOCCN(CCCC=CC4=CC=CC=C4)CCOCCN5C6=C(C=C(C=C6)[N+](=O)[O-])C(=N5)OCC7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)COC2=NN(C3=C2C=C(C=C3)[N+](=O)[O-])CCOCCN(CCC/C=C/C4=CC=CC=C4)CCOCCN5C6=C(C=C(C=C6)[N+](=O)[O-])C(=N5)OCC7=CC=CC=C7

InChI

InChI=1S/C47H49N7O8/c55-53(56)40-20-22-44-42(33-40)46(61-35-38-16-7-2-8-17-38)48-51(44)27-31-59-29-25-50(24-12-4-11-15-37-13-5-1-6-14-37)26-30-60-32-28-52-45-23-21-41(54(57)58)34-43(45)47(49-52)62-36-39-18-9-3-10-19-39/h1-3,5-11,13-23,33-34H,4,12,24-32,35-36H2/b15-11+