4-(5-methoxybenzotriazol-2-yl)-5-pentadecyl-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 4-(5-methoxybenzotriazol-2-yl)-5-pentadecyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-(5-methoxybenzotriazol-2-yl)-5-pentadecyl-2-phenyl-1H-pyrazol-3-one CAS Name: 4-(5-methoxy-2-benzotriazolyl)-5-pentadecyl-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-(5-methoxybenzotriazol-2-yl)-5-pentadecyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-(5-methoxybenzotriazol-2-yl)-5-pentadecyl-2-phenyl-3-pyrazolin-3-one Formula: C31H43N5O2 MolecularWeight: 517.70542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=O)N(N1)C2=CC=CC=C2)N3N=C4C=CC(=CC4=N3)OC

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=O)N(N1)C2=CC=CC=C2)N3N=C4C=CC(=CC4=N3)OC

InChI

InChI=1S/C31H43N5O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-28-30(31(37)35(32-28)25-19-16-15-17-20-25)36-33-27-23-22-26(38-2)24-29(27)34-36/h15-17,19-20,22-24,32H,3-14,18,21H2,1-2H3