1-[(2-fluorophenyl)methyl]-5-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methyl-amino]azepan-2-one

Systemtic Name: 1-[(2-fluorophenyl)methyl]-5-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methyl-amino]azepan-2-one Openeye Name: 1-[(2-fluorophenyl)methyl]-5-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methyl-amino]azepan-2-one CAS Name: 1-[(2-fluorophenyl)methyl]-5-[[1-(3-methoxyphenyl)-4-pyrazolyl]methyl-methylamino]-2-azepanone IUPAC Name: 1-[(2-fluorophenyl)methyl]-5-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]azepan-2-one Traditional Name: 1-(2-fluorobenzyl)-5-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methyl-amino]azepan-2-one Formula: C25H29FN4O2 MolecularWeight: 436.521763

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC(=CC=C2)OC)C3CCC(=O)N(CC3)CC4=CC=CC=C4F

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC(=CC=C2)OC)C3CCC(=O)N(CC3)CC4=CC=CC=C4F

InChI

InChI=1S/C25H29FN4O2/c1-28(16-19-15-27-30(17-19)22-7-5-8-23(14-22)32-2)21-10-11-25(31)29(13-12-21)18-20-6-3-4-9-24(20)26/h3-9,14-15,17,21H,10-13,16,18H2,1-2H3