N-[(2-bromophenyl)methyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N,1-dimethyl-pyrazole-4-carboxamide

Systemtic Name: N-[(2-bromophenyl)methyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N,1-dimethyl-pyrazole-4-carboxamide Openeye Name: N-[(2-bromophenyl)methyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N,1-dimethyl-pyrazole-4-carboxamide CAS Name: N-[(2-bromophenyl)methyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N,1-dimethyl-4-pyrazolecarboxamide IUPAC Name: N-[(2-bromophenyl)methyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N,1-dimethylpyrazole-4-carboxamide Traditional Name: N-(2-bromobenzyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N,1-dimethyl-pyrazole-4-carboxamide Formula: C22H22BrN3O3 MolecularWeight: 456.33238

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)N(C)CC4=CC=CC=C4Br

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)N(C)CC4=CC=CC=C4Br

InChI

InChI=1S/C22H22BrN3O3/c1-25(13-16-6-3-4-7-18(16)23)22(27)17-14-26(2)24-21(17)15-8-9-19-20(12-15)29-11-5-10-28-19/h3-4,6-9,12,14H,5,10-11,13H2,1-2H3