[1-[4-(4-hexoxyphenyl)piperazin-1-yl]benzotriazol-4-yl]-pyridin-2-yl-methanone

Systemtic Name: [1-[4-(4-hexoxyphenyl)piperazin-1-yl]benzotriazol-4-yl]-pyridin-2-yl-methanone Openeye Name: [1-[4-(4-hexoxyphenyl)piperazin-1-yl]benzotriazol-4-yl]-(2-pyridyl)methanone CAS Name: [1-[4-(4-hexoxyphenyl)-1-piperazinyl]-4-benzotriazolyl]-(2-pyridinyl)methanone IUPAC Name: [1-[4-(4-hexoxyphenyl)piperazin-1-yl]benzotriazol-4-yl]-pyridin-2-ylmethanone Traditional Name: [1-[4-(4-hexoxyphenyl)piperazino]benzotriazol-4-yl]-(2-pyridyl)methanone Formula: C28H32N6O2 MolecularWeight: 484.59268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)N2CCN(CC2)N3C4=CC=CC(=C4N=N3)C(=O)C5=CC=CC=N5

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)N2CCN(CC2)N3C4=CC=CC(=C4N=N3)C(=O)C5=CC=CC=N5

InChI

InChI=1S/C28H32N6O2/c1-2-3-4-7-21-36-23-14-12-22(13-15-23)32-17-19-33(20-18-32)34-26-11-8-9-24(27(26)30-31-34)28(35)25-10-5-6-16-29-25/h5-6,8-16H,2-4,7,17-21H2,1H3