N-[(E)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]-4-decoxy-benzamide

Systemtic Name: N-[(E)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]-4-decoxy-benzamide Openeye Name: N-[(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]-4-decoxy-benzamide CAS Name: N-[(E)-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylideneamino]-4-decoxybenzamide IUPAC Name: N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-4-decoxybenzamide Traditional Name: N-[(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]-4-decoxy-benzamide Formula: C28H35ClN4O2 MolecularWeight: 495.0561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)NN=CC2=C(N(N=C2C)C3=CC=CC=C3)Cl

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)N/N=C/C2=C(N(N=C2C)C3=CC=CC=C3)Cl

InChI

InChI=1S/C28H35ClN4O2/c1-3-4-5-6-7-8-9-13-20-35-25-18-16-23(17-19-25)28(34)31-30-21-26-22(2)32-33(27(26)29)24-14-11-10-12-15-24/h10-12,14-19,21H,3-9,13,20H2,1-2H3,(H,31,34)/b30-21+