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

Systemtic Name: 4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]-6-[(3-fluorophenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one Openeye Name: 4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyl]-6-[(3-fluorophenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one CAS Name: 4-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methyl]-6-[(3-fluorophenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one IUPAC Name: 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-6-[(3-fluorophenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one Traditional Name: 6-(3-fluorobenzyl)oxy-4-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]-1-phenethyl-1,4-diazepan-2-one Formula: C32H35FN4O3 MolecularWeight: 542.643703

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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)CCC4=CC=CC=C4)OCC5=CC(=CC=C5)F

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CC(CN(C(=O)C3)CCC4=CC=CC=C4)OCC5=CC(=CC=C5)F

InChI

InChI=1S/C32H35FN4O3/c1-24-30(32(39)37(34(24)2)28-14-7-4-8-15-28)21-35-19-29(40-23-26-12-9-13-27(33)18-26)20-36(31(38)22-35)17-16-25-10-5-3-6-11-25/h3-15,18,29H,16-17,19-23H2,1-2H3