8-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-5-nitro-quinoline

Systemtic Name: 8-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-5-nitro-quinoline Openeye Name: 8-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-5-nitro-quinoline CAS Name: 8-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-5-nitroquinoline IUPAC Name: 8-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-5-nitroquinoline Traditional Name: 8-[4-(coumaran-5-ylmethyl)piperazino]-5-nitro-quinoline Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C4=C5C(=C(C=C4)[N+](=O)[O-])C=CC=N5

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C4=C5C(=C(C=C4)[N+](=O)[O-])C=CC=N5

InChI

InChI=1S/C22H22N4O3/c27-26(28)19-4-5-20(22-18(19)2-1-8-23-22)25-11-9-24(10-12-25)15-16-3-6-21-17(14-16)7-13-29-21/h1-6,8,14H,7,9-13,15H2