4-(2,5-dimethylpyrazol-3-yl)carbonyl-6-[(3-fluorophenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one

Systemtic Name: 4-(2,5-dimethylpyrazol-3-yl)carbonyl-6-[(3-fluorophenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one Openeye Name: 4-(2,5-dimethylpyrazole-3-carbonyl)-6-[(3-fluorophenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one CAS Name: 4-[(2,5-dimethyl-3-pyrazolyl)-oxomethyl]-6-[(3-fluorophenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one IUPAC Name: 4-(2,5-dimethylpyrazole-3-carbonyl)-6-[(3-fluorophenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one Traditional Name: 4-(2,5-dimethylpyrazole-3-carbonyl)-6-(3-fluorobenzyl)oxy-1-phenethyl-1,4-diazepan-2-one Formula: C26H29FN4O3 MolecularWeight: 464.531863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC(=CC=C4)F)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC(=CC=C4)F)C

InChI

InChI=1S/C26H29FN4O3/c1-19-13-24(29(2)28-19)26(33)31-16-23(34-18-21-9-6-10-22(27)14-21)15-30(25(32)17-31)12-11-20-7-4-3-5-8-20/h3-10,13-14,23H,11-12,15-18H2,1-2H3