5-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-N-[2-(4-methylphenyl)carbonyl-1-benzofuran-3-yl]-1,2-dihydropyrazole-3-carboxamide

Systemtic Name: 5-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-N-[2-(4-methylphenyl)carbonyl-1-benzofuran-3-yl]-1,2-dihydropyrazole-3-carboxamide Openeye Name: N-[2-(4-methylbenzoyl)benzofuran-3-yl]-5-(3-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide CAS Name: 5-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-N-[2-[(4-methylphenyl)-oxomethyl]-3-benzofuranyl]-1,2-dihydropyrazole-3-carboxamide IUPAC Name: N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide Traditional Name: 5-(6-keto-3-methyl-cyclohexa-2,4-dien-1-ylidene)-N-(2-p-toluoylbenzofuran-3-yl)-3-pyrazoline-3-carboxamide Formula: C27H21N3O4 MolecularWeight: 451.47334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4=CC(=C5C=C(C=CC5=O)C)NN4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4=CC(=C5C=C(C=CC5=O)C)NN4

InChI

InChI=1S/C27H21N3O4/c1-15-7-10-17(11-8-15)25(32)26-24(18-5-3-4-6-23(18)34-26)28-27(33)21-14-20(29-30-21)19-13-16(2)9-12-22(19)31/h3-14,29-30H,1-2H3,(H,28,33)