4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-6-phenylmethoxy-1,4-diazepan-2-one

Systemtic Name: 4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-6-phenylmethoxy-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1,4-diazepan-2-one CAS Name: 4-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-6-phenylmethoxy-1,4-diazepan-2-one IUPAC Name: 4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenylmethoxy-1,4-diazepan-2-one Traditional Name: 6-benzoxy-4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1-[3-(2-ketopyrrolidino)propyl]-1,4-diazepan-2-one Formula: C27H39N5O3 MolecularWeight: 481.63026

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)CN2CC(CN(C(=O)C2)CCCN3CCCC3=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)CN2CC(CN(C(=O)C2)CCCN3CCCC3=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C27H39N5O3/c1-4-32-22(3)25(21(2)28-32)18-29-16-24(35-20-23-10-6-5-7-11-23)17-31(27(34)19-29)15-9-14-30-13-8-12-26(30)33/h5-7,10-11,24H,4,8-9,12-20H2,1-3H3