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

Systemtic Name: 5-chloranyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide Openeye Name: 5-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-1-(p-tolylmethyl)pyrazole-4-carboxamide CAS Name: 5-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxamide IUPAC Name: 5-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide Traditional Name: 5-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-1-(4-methylbenzyl)pyrazole-4-carboxamide Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NC3=CC4=C(C=C3)OCCCO4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NC3=CC4=C(C=C3)OCCCO4)Cl

InChI

InChI=1S/C22H22ClN3O3/c1-14-4-6-16(7-5-14)13-26-21(23)20(15(2)25-26)22(27)24-17-8-9-18-19(12-17)29-11-3-10-28-18/h4-9,12H,3,10-11,13H2,1-2H3,(H,24,27)