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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(3-methylphenyl)pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(m-tolyl)pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(3-methylphenyl)-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(3-methylphenyl)pyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(m-tolyl)pyrazole-4-carboxamide Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C

InChI

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