N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1,5-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1,5-dimethyl-pyrazole-3-carboxamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1,5-dimethyl-pyrazole-3-carboxamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1,5-dimethyl-pyrazole-3-carboxamide Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)C(=O)NCC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CC(=NN1C)C(=O)NCC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C16H19N3O3/c1-11-8-13(18-19(11)2)16(20)17-10-12-4-5-14-15(9-12)22-7-3-6-21-14/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,17,20)