N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[5-methyl-2-(p-tolyl)pyrazol-3-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[5-methyl-2-(4-methylphenyl)-3-pyrazolyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[5-methyl-2-(p-tolyl)pyrazol-3-yl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H21N3O3/c1-14-4-7-17(8-5-14)24-20(12-15(2)23-24)22-21(25)16-6-9-18-19(13-16)27-11-3-10-26-18/h4-9,12-13H,3,10-11H2,1-2H3,(H,22,25)