5-chloranyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: 5-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-1-phenyl-pyrazole-4-carboxamide CAS Name: 5-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 5-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-1-phenylpyrazole-4-carboxamide Traditional Name: 5-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-1-phenyl-pyrazole-4-carboxamide Formula: C20H18ClN3O3 MolecularWeight: 383.82822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2=CC3=C(C=C2)OCCCO3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2=CC3=C(C=C2)OCCCO3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H18ClN3O3/c1-13-18(19(21)24(23-13)15-6-3-2-4-7-15)20(25)22-14-8-9-16-17(12-14)27-11-5-10-26-16/h2-4,6-9,12H,5,10-11H2,1H3,(H,22,25)