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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N,1-dimethyl-N-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: N-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N,1-dimethyl-pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N,1-dimethyl-N-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: N-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N,1-dimethylpyrazole-4-carboxamide Traditional Name: N-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N,1-dimethyl-pyrazole-4-carboxamide Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)N(C)CC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)N(C)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3/c1-24(14-16-7-4-3-5-8-16)22(26)18-15-25(2)23-21(18)17-9-10-19-20(13-17)28-12-6-11-27-19/h3-5,7-10,13,15H,6,11-12,14H2,1-2H3