3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N,1-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N,1-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazole-4-carboxamide Openeye Name: N-[(4-allyloxyphenyl)methyl]-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-[(4-prop-2-enoxyphenyl)methyl]-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N,1-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazole-4-carboxamide Traditional Name: N-(4-allyloxybenzyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N,1-dimethyl-pyrazole-4-carboxamide Formula: C25H27N3O4 MolecularWeight: 433.49958

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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=C(C=C4)OCC=C

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O4/c1-4-12-30-20-9-6-18(7-10-20)16-27(2)25(29)21-17-28(3)26-24(21)19-8-11-22-23(15-19)32-14-5-13-31-22/h4,6-11,15,17H,1,5,12-14,16H2,2-3H3