N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]benzamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]benzamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]benzamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[[1-(4-ethoxyphenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]benzamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide Traditional Name: 3-[(2,5-dimethyl-1-p-phenetyl-pyrrol-3-yl)methyleneamino]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)benzamide Formula: C33H33N5O3 MolecularWeight: 547.64682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C=NC3=CC=CC(=C3)C(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C=NC3=CC=CC(=C3)C(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C)C

InChI

InChI=1S/C33H33N5O3/c1-6-41-30-17-15-28(16-18-30)37-22(2)19-26(23(37)3)21-34-27-12-10-11-25(20-27)32(39)35-31-24(4)36(5)38(33(31)40)29-13-8-7-9-14-29/h7-21H,6H2,1-5H3,(H,35,39)