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

Systemtic Name: N-[2-(4-chlorophenyl)carbonyl-1-benzofuran-3-yl]-5-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide Openeye Name: N-[2-(4-chlorobenzoyl)benzofuran-3-yl]-5-(3-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide CAS Name: N-[2-[(4-chlorophenyl)-oxomethyl]-3-benzofuranyl]-5-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazole-3-carboxamide IUPAC Name: N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide Traditional Name: N-[2-(4-chlorobenzoyl)benzofuran-3-yl]-5-(6-keto-3-methyl-cyclohexa-2,4-dien-1-ylidene)-3-pyrazoline-3-carboxamide Formula: C26H18ClN3O4 MolecularWeight: 471.89182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(NN2)C(=O)NC3=C(OC4=CC=CC=C43)C(=O)C5=CC=C(C=C5)Cl)C(=O)C=C1

Isomeric SMILES

CC1=CC(=C2C=C(NN2)C(=O)NC3=C(OC4=CC=CC=C43)C(=O)C5=CC=C(C=C5)Cl)C(=O)C=C1

InChI

InChI=1S/C26H18ClN3O4/c1-14-6-11-21(31)18(12-14)19-13-20(30-29-19)26(33)28-23-17-4-2-3-5-22(17)34-25(23)24(32)15-7-9-16(27)10-8-15/h2-13,29-30H,1H3,(H,28,33)