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

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N,1-dimethyl-pyrazole-4-carboxamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N,1-dimethyl-pyrazole-4-carboxamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N,1-dimethyl-4-pyrazolecarboxamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N,1-dimethylpyrazole-4-carboxamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N,1-dimethyl-pyrazole-4-carboxamide Formula: C23H24BrN3O4 MolecularWeight: 486.35836

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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=C(C=CC(=C4)Br)OC

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)N(C)CC4=C(C=CC(=C4)Br)OC

InChI

InChI=1S/C23H24BrN3O4/c1-26(13-16-11-17(24)6-8-19(16)29-3)23(28)18-14-27(2)25-22(18)15-5-7-20-21(12-15)31-10-4-9-30-20/h5-8,11-12,14H,4,9-10,13H2,1-3H3