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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(3-phenylmethoxypropyl)pyrazole-4-carboxamide Openeye Name: N-(3-benzyloxypropyl)-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-(3-phenylmethoxypropyl)-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(3-phenylmethoxypropyl)pyrazole-4-carboxamide Traditional Name: N-(3-benzoxypropyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCCCOCC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCCCOCC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O4/c1-27-16-20(24(28)25-11-5-12-29-17-18-7-3-2-4-8-18)23(26-27)19-9-10-21-22(15-19)31-14-6-13-30-21/h2-4,7-10,15-16H,5-6,11-14,17H2,1H3,(H,25,28)