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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C)Br

InChI

InChI=1S/C21H20BrN3O3/c1-13-10-15(5-6-17(13)22)23-21(26)16-12-25(2)24-20(16)14-4-7-18-19(11-14)28-9-3-8-27-18/h4-7,10-12H,3,8-9H2,1-2H3,(H,23,26)