N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-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=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H21N3O3/c1-14-20(15(2)24(23-14)17-7-4-3-5-8-17)22-21(25)16-9-10-18-19(13-16)27-12-6-11-26-18/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,22,25)