[1-[2-(4-hexoxyphenyl)pyrimidin-4-yl]-3-oxidanidyl-benzotriazol-3-ium-4-yl]-phenyl-methanone

Systemtic Name: [1-[2-(4-hexoxyphenyl)pyrimidin-4-yl]-3-oxidanidyl-benzotriazol-3-ium-4-yl]-phenyl-methanone Openeye Name: [1-[2-(4-hexoxyphenyl)pyrimidin-4-yl]-3-oxido-benzotriazol-3-ium-4-yl]-phenyl-methanone CAS Name: [1-[2-(4-hexoxyphenyl)-4-pyrimidinyl]-3-oxido-4-benzotriazol-3-iumyl]-phenylmethanone IUPAC Name: [1-[2-(4-hexoxyphenyl)pyrimidin-4-yl]-3-oxidobenzotriazol-3-ium-4-yl]-phenylmethanone Traditional Name: [1-[2-(4-hexoxyphenyl)pyrimidin-4-yl]-3-oxido-benzotriazol-3-ium-4-yl]-phenyl-methanone Formula: C29H27N5O3 MolecularWeight: 493.55638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NC=CC(=N2)N3C4=CC=CC(=C4[N+](=N3)[O-])C(=O)C5=CC=CC=C5

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NC=CC(=N2)N3C4=CC=CC(=C4[N+](=N3)[O-])C(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H27N5O3/c1-2-3-4-8-20-37-23-16-14-22(15-17-23)29-30-19-18-26(31-29)33-25-13-9-12-24(27(25)34(36)32-33)28(35)21-10-6-5-7-11-21/h5-7,9-19H,2-4,8,20H2,1H3