5-nitro-3-phenylmethoxy-1-[2-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethoxy]ethyl]indazole

Systemtic Name: 5-nitro-3-phenylmethoxy-1-[2-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethoxy]ethyl]indazole Openeye Name: 3-benzyloxy-1-[2-[2-[4-[(E)-cinnamyl]piperazin-1-yl]ethoxy]ethyl]-5-nitro-indazole CAS Name: 5-nitro-3-phenylmethoxy-1-[2-[2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]ethoxy]ethyl]indazole IUPAC Name: 5-nitro-3-phenylmethoxy-1-[2-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethoxy]ethyl]indazole Traditional Name: 3-benzoxy-1-[2-[2-[4-[(E)-cinnamyl]piperazino]ethoxy]ethyl]-5-nitro-indazole Formula: C31H35N5O4 MolecularWeight: 541.6407

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOCCN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)OCC4=CC=CC=C4)CC=CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCOCCN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)OCC4=CC=CC=C4)C/C=C/C5=CC=CC=C5

InChI

InChI=1S/C31H35N5O4/c37-36(38)28-13-14-30-29(24-28)31(40-25-27-10-5-2-6-11-27)32-35(30)21-23-39-22-20-34-18-16-33(17-19-34)15-7-12-26-8-3-1-4-9-26/h1-14,24H,15-23,25H2/b12-7+