N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(3,5-dimethyl-1-pyrazolyl)benzamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCCCO4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCCCO4)C

InChI

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