methyl 4-[[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]carbonyl-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]carbonyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbonyl]-methyl-amino]methyl]benzoate CAS Name: 4-[[[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolyl]-oxomethyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carbonyl]-methylamino]methyl]benzoate Traditional Name: 4-[[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbonyl]-methyl-amino]methyl]benzoic acid methyl ester Formula: C24H25N3O5 MolecularWeight: 435.4724

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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)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O5/c1-26(14-16-5-7-17(8-6-16)24(29)30-3)23(28)19-15-27(2)25-22(19)18-9-10-20-21(13-18)32-12-4-11-31-20/h5-10,13,15H,4,11-12,14H2,1-3H3