N-[4-[4-(benzotriazol-1-yl)-3-oxidanylidene-5-pyrrolidin-1-yl-1H-pyrazol-2-yl]phenyl]-2-(3-pentadecylphenoxy)ethanamide

Systemtic Name: N-[4-[4-(benzotriazol-1-yl)-3-oxidanylidene-5-pyrrolidin-1-yl-1H-pyrazol-2-yl]phenyl]-2-(3-pentadecylphenoxy)ethanamide Openeye Name: N-[4-[4-(benzotriazol-1-yl)-3-oxo-5-pyrrolidin-1-yl-1H-pyrazol-2-yl]phenyl]-2-(3-pentadecylphenoxy)acetamide CAS Name: N-[4-[4-(1-benzotriazolyl)-3-oxo-5-(1-pyrrolidinyl)-1H-pyrazol-2-yl]phenyl]-2-(3-pentadecylphenoxy)acetamide IUPAC Name: N-[4-[4-(benzotriazol-1-yl)-3-oxo-5-pyrrolidin-1-yl-1H-pyrazol-2-yl]phenyl]-2-(3-pentadecylphenoxy)acetamide Traditional Name: N-[4-[4-(benzotriazol-1-yl)-5-keto-3-pyrrolidino-3-pyrazolin-1-yl]phenyl]-2-(3-pentadecylphenoxy)acetamide Formula: C42H55N7O3 MolecularWeight: 705.9312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OCC(=O)NC2=CC=C(C=C2)N3C(=O)C(=C(N3)N4CCCC4)N5C6=CC=CC=C6N=N5

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OCC(=O)NC2=CC=C(C=C2)N3C(=O)C(=C(N3)N4CCCC4)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C42H55N7O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-33-21-19-22-36(31-33)52-32-39(50)43-34-25-27-35(28-26-34)48-42(51)40(41(45-48)47-29-17-18-30-47)49-38-24-16-15-23-37(38)44-46-49/h15-16,19,21-28,31,45H,2-14,17-18,20,29-30,32H2,1H3,(H,43,50)