2-[5-(5-nitro-3-phenylmethoxy-indazol-1-yl)pentyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[5-(5-nitro-3-phenylmethoxy-indazol-1-yl)pentyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[5-(3-benzyloxy-5-nitro-indazol-1-yl)pentyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[5-(5-nitro-3-phenylmethoxy-1-indazolyl)pentyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[5-(5-nitro-3-phenylmethoxyindazol-1-yl)pentyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[5-(3-benzoxy-5-nitro-indazol-1-yl)pentyl]-3,4-dihydro-1H-isoquinoline Formula: C28H30N4O3 MolecularWeight: 470.5628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CCCCCN3C4=C(C=C(C=C4)[N+](=O)[O-])C(=N3)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CCCCCN3C4=C(C=C(C=C4)[N+](=O)[O-])C(=N3)OCC5=CC=CC=C5

InChI

InChI=1S/C28H30N4O3/c33-32(34)25-13-14-27-26(19-25)28(35-21-22-9-3-1-4-10-22)29-31(27)17-8-2-7-16-30-18-15-23-11-5-6-12-24(23)20-30/h1,3-6,9-14,19H,2,7-8,15-18,20-21H2