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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrazole-4-carboxamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrazole-4-carboxamide Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=CN(N=C3)CC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=CN(N=C3)CC4=CC=CC=C4)OC1

InChI

InChI=1S/C20H19N3O3/c24-20(16-12-21-23(14-16)13-15-5-2-1-3-6-15)22-17-7-8-18-19(11-17)26-10-4-9-25-18/h1-3,5-8,11-12,14H,4,9-10,13H2,(H,22,24)