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

Systemtic Name: 5-nitro-3-phenylmethoxy-1-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentyl]indazole Openeye Name: 3-benzyloxy-1-[5-[4-[(E)-cinnamyl]piperazin-1-yl]pentyl]-5-nitro-indazole CAS Name: 5-nitro-3-phenylmethoxy-1-[5-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]pentyl]indazole IUPAC Name: 5-nitro-3-phenylmethoxy-1-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentyl]indazole Traditional Name: 3-benzoxy-1-[5-[4-[(E)-cinnamyl]piperazino]pentyl]-5-nitro-indazole Formula: C32H37N5O3 MolecularWeight: 539.66788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCCN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)OCC4=CC=CC=C4)CC=CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCCCCN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)OCC4=CC=CC=C4)C/C=C/C5=CC=CC=C5

InChI

InChI=1S/C32H37N5O3/c38-37(39)29-16-17-31-30(25-29)32(40-26-28-13-6-2-7-14-28)33-36(31)20-9-3-8-18-34-21-23-35(24-22-34)19-10-15-27-11-4-1-5-12-27/h1-2,4-7,10-17,25H,3,8-9,18-24,26H2/b15-10+