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

Systemtic Name: 4-(1-ethylpyrazol-4-yl)carbonyl-6-[(3-fluorophenyl)methoxy]-1-(2-methylpropyl)-1,4-diazepan-2-one Openeye Name: 4-(1-ethylpyrazole-4-carbonyl)-6-[(3-fluorophenyl)methoxy]-1-isobutyl-1,4-diazepan-2-one CAS Name: 4-[(1-ethyl-4-pyrazolyl)-oxomethyl]-6-[(3-fluorophenyl)methoxy]-1-(2-methylpropyl)-1,4-diazepan-2-one IUPAC Name: 4-(1-ethylpyrazole-4-carbonyl)-6-[(3-fluorophenyl)methoxy]-1-(2-methylpropyl)-1,4-diazepan-2-one Traditional Name: 4-(1-ethylpyrazole-4-carbonyl)-6-(3-fluorobenzyl)oxy-1-isobutyl-1,4-diazepan-2-one Formula: C22H29FN4O3 MolecularWeight: 416.489063

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C(=O)N2CC(CN(C(=O)C2)CC(C)C)OCC3=CC(=CC=C3)F

Isomeric SMILES

CCN1C=C(C=N1)C(=O)N2CC(CN(C(=O)C2)CC(C)C)OCC3=CC(=CC=C3)F

InChI

InChI=1S/C22H29FN4O3/c1-4-27-11-18(9-24-27)22(29)26-13-20(12-25(10-16(2)3)21(28)14-26)30-15-17-6-5-7-19(23)8-17/h5-9,11,16,20H,4,10,12-15H2,1-3H3