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

Systemtic Name: N-butyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide Openeye Name: N-butyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide CAS Name: N-butyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolecarboxamide IUPAC Name: N-butyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carboxamide Traditional Name: N-butyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CN(N=C1C2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

CCCCNC(=O)C1=CN(N=C1C2=CC3=C(C=C2)OCCCO3)C

InChI

InChI=1S/C18H23N3O3/c1-3-4-8-19-18(22)14-12-21(2)20-17(14)13-6-7-15-16(11-13)24-10-5-9-23-15/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,19,22)