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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(3-methyl-2-phenyl-butyl)pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(3-methyl-2-phenyl-butyl)pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(3-methyl-2-phenylbutyl)-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(3-methyl-2-phenylbutyl)pyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(3-methyl-2-phenyl-butyl)pyrazole-4-carboxamide Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C1=CN(N=C1C2=CC3=C(C=C2)OCCCO3)C)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(CNC(=O)C1=CN(N=C1C2=CC3=C(C=C2)OCCCO3)C)C4=CC=CC=C4

InChI

InChI=1S/C25H29N3O3/c1-17(2)20(18-8-5-4-6-9-18)15-26-25(29)21-16-28(3)27-24(21)19-10-11-22-23(14-19)31-13-7-12-30-22/h4-6,8-11,14,16-17,20H,7,12-13,15H2,1-3H3,(H,26,29)