ethyl 1-[4-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylcarbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylcarbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylcarbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[4-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylamino]-oxomethyl]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylcarbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC(C)C3=CC4=C(C=C3)OCCCO4)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC(C)C3=CC4=C(C=C3)OCCCO4)C

InChI

InChI=1S/C25H27N3O5/c1-4-31-25(30)21-15-26-28(17(21)3)20-9-6-18(7-10-20)24(29)27-16(2)19-8-11-22-23(14-19)33-13-5-12-32-22/h6-11,14-16H,4-5,12-13H2,1-3H3,(H,27,29)