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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O3/c1-24-14-17(21(25)22-13-15-6-3-2-4-7-15)20(23-24)16-8-9-18-19(12-16)27-11-5-10-26-18/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,22,25)