2-[[4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-oxidanylidene-1-phenethyl-1,4-diazepan-6-yl]oxy]-N,N-diethyl-ethanamide

Systemtic Name: 2-[[4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-oxidanylidene-1-phenethyl-1,4-diazepan-6-yl]oxy]-N,N-diethyl-ethanamide Openeye Name: 2-[[4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-oxo-1-phenethyl-1,4-diazepan-6-yl]oxy]-N,N-diethyl-acetamide CAS Name: 2-[[4-[(1,3-dimethyl-4-pyrazolyl)methyl]-2-oxo-1-phenethyl-1,4-diazepan-6-yl]oxy]-N,N-diethylacetamide IUPAC Name: 2-[[4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-oxo-1-phenethyl-1,4-diazepan-6-yl]oxy]-N,N-diethylacetamide Traditional Name: 2-[[4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-keto-1-phenethyl-1,4-diazepan-6-yl]oxy]-N,N-diethyl-acetamide Formula: C25H37N5O3 MolecularWeight: 455.59298

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC1CN(CC(=O)N(C1)CCC2=CC=CC=C2)CC3=CN(N=C3C)C

Isomeric SMILES

CCN(CC)C(=O)COC1CN(CC(=O)N(C1)CCC2=CC=CC=C2)CC3=CN(N=C3C)C

InChI

InChI=1S/C25H37N5O3/c1-5-29(6-2)25(32)19-33-23-16-28(15-22-14-27(4)26-20(22)3)18-24(31)30(17-23)13-12-21-10-8-7-9-11-21/h7-11,14,23H,5-6,12-13,15-19H2,1-4H3