4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-[(3-fluorophenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one

Systemtic Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-[(3-fluorophenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one Openeye Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-[(3-fluorophenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one CAS Name: 4-[(1,3-dimethyl-4-pyrazolyl)methyl]-6-[(3-fluorophenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one IUPAC Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-[(3-fluorophenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one Traditional Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(3-fluorobenzyl)oxy-1-phenethyl-1,4-diazepan-2-one Formula: C26H31FN4O2 MolecularWeight: 450.548343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC(=CC=C4)F)C

Isomeric SMILES

CC1=NN(C=C1CN2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC(=CC=C4)F)C

InChI

InChI=1S/C26H31FN4O2/c1-20-23(14-29(2)28-20)15-30-16-25(33-19-22-9-6-10-24(27)13-22)17-31(26(32)18-30)12-11-21-7-4-3-5-8-21/h3-10,13-14,25H,11-12,15-19H2,1-2H3