N-[3-[[(5-oxidanylidenepyrazol-3-yl)-phenyl-carbamoyl]amino]phenyl]-2-(3-pentadecylphenoxy)butanamide

Systemtic Name: N-[3-[[(5-oxidanylidenepyrazol-3-yl)-phenyl-carbamoyl]amino]phenyl]-2-(3-pentadecylphenoxy)butanamide Openeye Name: N-[3-[[(5-oxopyrazol-3-yl)-phenyl-carbamoyl]amino]phenyl]-2-(3-pentadecylphenoxy)butanamide CAS Name: N-[3-[[oxo-(N-(5-oxo-3-pyrazolyl)anilino)methyl]amino]phenyl]-2-(3-pentadecylphenoxy)butanamide IUPAC Name: N-[3-[[(5-oxopyrazol-3-yl)-phenylcarbamoyl]amino]phenyl]-2-(3-pentadecylphenoxy)butanamide Traditional Name: N-[3-[[(5-ketopyrazol-3-yl)-phenyl-carbamoyl]amino]phenyl]-2-(3-pentadecylphenoxy)butyramide Formula: C41H53N5O4 MolecularWeight: 679.89062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)C(=O)NC2=CC(=CC=C2)NC(=O)N(C3=CC=CC=C3)C4=CC(=O)N=N4

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)C(=O)NC2=CC(=CC=C2)NC(=O)N(C3=CC=CC=C3)C4=CC(=O)N=N4

InChI

InChI=1S/C41H53N5O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-22-32-23-20-28-36(29-32)50-37(4-2)40(48)42-33-24-21-25-34(30-33)43-41(49)46(35-26-18-16-19-27-35)38-31-39(47)45-44-38/h16,18-21,23-31,37H,3-15,17,22H2,1-2H3,(H,42,48)(H,43,49)