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

Systemtic Name: 4-(1-ethylpyrazol-4-yl)carbonyl-6-[(3-fluorophenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one Openeye Name: 4-(1-ethylpyrazole-4-carbonyl)-6-[(3-fluorophenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one CAS Name: 4-[(1-ethyl-4-pyrazolyl)-oxomethyl]-6-[(3-fluorophenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one IUPAC Name: 4-(1-ethylpyrazole-4-carbonyl)-6-[(3-fluorophenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one Traditional Name: 4-(1-ethylpyrazole-4-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:

CCN1C=C(C=N1)C(=O)N2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC(=CC=C4)F

Isomeric SMILES

CCN1C=C(C=N1)C(=O)N2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC(=CC=C4)F

InChI

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