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

Systemtic Name: 1-(2,5-dimethylpyrazol-3-yl)carbonyl-4-[(2-fluorophenyl)methyl]-1,4-diazepan-5-one Openeye Name: 1-(2,5-dimethylpyrazole-3-carbonyl)-4-[(2-fluorophenyl)methyl]-1,4-diazepan-5-one CAS Name: 1-[(2,5-dimethyl-3-pyrazolyl)-oxomethyl]-4-[(2-fluorophenyl)methyl]-1,4-diazepan-5-one IUPAC Name: 1-(2,5-dimethylpyrazole-3-carbonyl)-4-[(2-fluorophenyl)methyl]-1,4-diazepan-5-one Traditional Name: 1-(2,5-dimethylpyrazole-3-carbonyl)-4-(2-fluorobenzyl)-1,4-diazepan-5-one Formula: C18H21FN4O2 MolecularWeight: 344.383343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N2CCC(=O)N(CC2)CC3=CC=CC=C3F)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N2CCC(=O)N(CC2)CC3=CC=CC=C3F)C

InChI

InChI=1S/C18H21FN4O2/c1-13-11-16(21(2)20-13)18(25)22-8-7-17(24)23(10-9-22)12-14-5-3-4-6-15(14)19/h3-6,11H,7-10,12H2,1-2H3