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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NC=CC(=N2)C3=CC=C(C=C3)C(=O)N4C5=CC=CC=C5[N+](=N4)[O-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NC=CC(=N2)C3=CC=C(C=C3)C(=O)N4C5=CC=CC=C5[N+](=N4)[O-]

InChI

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