ethyl (2E)-2-[(3-oxidanylidene-5-phenethyl-1,2-dihydropyrazol-4-yl)methylidene]indole-3-carboxylate

Systemtic Name: ethyl (2E)-2-[(3-oxidanylidene-5-phenethyl-1,2-dihydropyrazol-4-yl)methylidene]indole-3-carboxylate Openeye Name: ethyl (2E)-2-[(3-oxo-5-phenethyl-1,2-dihydropyrazol-4-yl)methylene]indole-3-carboxylate CAS Name: (2E)-2-[(3-oxo-5-phenethyl-1,2-dihydropyrazol-4-yl)methylidene]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl (2E)-2-[(3-oxo-5-phenethyl-1,2-dihydropyrazol-4-yl)methylidene]indole-3-carboxylate Traditional Name: (2E)-2-[(3-keto-5-phenethyl-3-pyrazolin-4-yl)methylene]indole-3-carboxylic acid ethyl ester Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC=CC2=NC1=CC3=C(NNC3=O)CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C\1=C2C=CC=CC2=N/C1=C/C3=C(NNC3=O)CCC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O3/c1-2-29-23(28)21-16-10-6-7-11-18(16)24-20(21)14-17-19(25-26-22(17)27)13-12-15-8-4-3-5-9-15/h3-11,14H,2,12-13H2,1H3,(H2,25,26,27)/b20-14+