4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]-6-[(4-fluorophenyl)methoxy]-1-propan-2-yl-1,4-diazepan-2-one

Systemtic Name: 4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]-6-[(4-fluorophenyl)methoxy]-1-propan-2-yl-1,4-diazepan-2-one Openeye Name: 4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyl]-6-[(4-fluorophenyl)methoxy]-1-isopropyl-1,4-diazepan-2-one CAS Name: 4-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methyl]-6-[(4-fluorophenyl)methoxy]-1-propan-2-yl-1,4-diazepan-2-one IUPAC Name: 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-6-[(4-fluorophenyl)methoxy]-1-propan-2-yl-1,4-diazepan-2-one Traditional Name: 6-(4-fluorobenzyl)oxy-1-isopropyl-4-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]-1,4-diazepan-2-one Formula: C27H33FN4O3 MolecularWeight: 480.574323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CC(CN(C(=O)C3)C(C)C)OCC4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CC(CN(C(=O)C3)C(C)C)OCC4=CC=C(C=C4)F

InChI

InChI=1S/C27H33FN4O3/c1-19(2)31-15-24(35-18-21-10-12-22(28)13-11-21)14-30(17-26(31)33)16-25-20(3)29(4)32(27(25)34)23-8-6-5-7-9-23/h5-13,19,24H,14-18H2,1-4H3