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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(5-methylhexan-2-yl)pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(1,4-dimethylpentyl)-1-methyl-pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(5-methylhexan-2-yl)-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(5-methylhexan-2-yl)pyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(1,4-dimethylpentyl)-1-methyl-pyrazole-4-carboxamide Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)C1=CN(N=C1C2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

CC(C)CCC(C)NC(=O)C1=CN(N=C1C2=CC3=C(C=C2)OCCCO3)C

InChI

InChI=1S/C21H29N3O3/c1-14(2)6-7-15(3)22-21(25)17-13-24(4)23-20(17)16-8-9-18-19(12-16)27-11-5-10-26-18/h8-9,12-15H,5-7,10-11H2,1-4H3,(H,22,25)